2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane

C372H318N10O10 — CID 158159059

IUPAC2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane
SMILESC.C.Cc1cc(C)cc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c1.Cc1ccc(C)c(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c1.Cc1ccc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5ccc(C)c(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)cc1C.Cc1ccc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5ccc(C)cc5C)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c(C)c1.Cc1cccc(C)c1N(c1cccc(-c2cccc(-c3ccccc3C(C)C)c2)c1O)c1ccc2ccc3c(N(c4c(C)cccc4C)c4cccc5c4oc4c(-c6ccccc6C(C)C)cccc45)ccc4ccc1c2c43
InChIInChI=1S/5C74H62N2O2.2CH4/c1-44(2)54-25-9-11-27-56(54)52-23-15-24-53(43-52)57-29-17-33-66(72(57)77)75(70-46(5)19-13-20-47(70)6)64-41-37-50-36-40-63-65(42-38-51-35-39-62(64)68(50)69(51)63)76(71-48(7)21-14-22-49(71)8)67-34-18-32-61-60-31-16-30-59(73(60)78-74(61)67)58-28-12-10-26-55(58)45(3)4;1-44(2)54-19-9-11-21-56(54)52-17-13-18-53(43-52)57-23-15-27-68(72(57)77)75(64-37-29-46(5)41-48(64)7)66-39-33-50-32-36-63-67(40-34-51-31-35-62(66)70(50)71(51)63)76(65-38-30-47(6)42-49(65)8)69-28-16-26-61-60-25-14-24-59(73(60)78-74(61)69)58-22-12-10-20-55(58)45(3)4;1-44(2)56-19-9-11-21-58(56)52-17-13-18-53(43-52)59-23-15-27-68(72(59)77)75(54-35-29-46(5)48(7)41-54)66-39-33-50-32-38-65-67(40-34-51-31-37-64(66)70(50)71(51)65)76(55-36-30-47(6)49(8)42-55)69-28-16-26-63-62-25-14-24-61(73(62)78-74(63)69)60-22-12-10-20-57(60)45(3)4;1-44(2)56-19-9-11-21-58(56)52-17-13-18-53(43-52)59-23-15-27-68(72(59)77)75(54-39-46(5)37-47(6)40-54)66-35-31-50-30-34-65-67(36-32-51-29-33-64(66)70(50)71(51)65)76(55-41-48(7)38-49(8)42-55)69-28-16-26-63-62-25-14-24-61(73(62)78-74(63)69)60-22-12-10-20-57(60)45(3)4;1-44(2)54-19-9-11-21-56(54)52-17-13-18-53(43-52)57-23-15-27-66(72(57)77)75(68-41-46(5)29-31-48(68)7)64-39-35-50-34-38-63-65(40-36-51-33-37-62(64)70(50)71(51)63)76(69-42-47(6)30-32-49(69)8)67-28-16-26-61-60-25-14-24-59(73(60)78-74(61)67)58-22-12-10-20-55(58)45(3)4;;/h5*9-45,77H,1-8H3;2*1H4
InChIKeyFWAUQMQSOKVGBO-UHFFFAOYSA-N
MW5088.70 g/mol
LogP109.32
Rot. Bonds55

About 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane

2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane (PubChem CID 158159059) has the molecular formula C372H318N10O10 and a molecular weight of 5088.70 g/mol. Its IUPAC name is 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane.

Molecular Properties

Compound Name2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane
PubChem CID158159059
Molecular FormulaC372H318N10O10
Molecular Weight5088.70 g/mol
Exact Mass5084.47
IUPAC Name2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane
SMILESC.C.Cc1cc(C)cc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c1.Cc1ccc(C)c(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c1.Cc1ccc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5ccc(C)c(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)cc1C.Cc1ccc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5ccc(C)cc5C)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c(C)c1.Cc1cccc(C)c1N(c1cccc(-c2cccc(-c3ccccc3C(C)C)c2)c1O)c1ccc2ccc3c(N(c4c(C)cccc4C)c4cccc5c4oc4c(-c6ccccc6C(C)C)cccc45)ccc4ccc1c2c43
InChIInChI=1S/5C74H62N2O2.2CH4/c1-44(2)54-25-9-11-27-56(54)52-23-15-24-53(43-52)57-29-17-33-66(72(57)77)75(70-46(5)19-13-20-47(70)6)64-41-37-50-36-40-63-65(42-38-51-35-39-62(64)68(50)69(51)63)76(71-48(7)21-14-22-49(71)8)67-34-18-32-61-60-31-16-30-59(73(60)78-74(61)67)58-28-12-10-26-55(58)45(3)4;1-44(2)54-19-9-11-21-56(54)52-17-13-18-53(43-52)57-23-15-27-68(72(57)77)75(64-37-29-46(5)41-48(64)7)66-39-33-50-32-36-63-67(40-34-51-31-35-62(66)70(50)71(51)63)76(65-38-30-47(6)42-49(65)8)69-28-16-26-61-60-25-14-24-59(73(60)78-74(61)69)58-22-12-10-20-55(58)45(3)4;1-44(2)56-19-9-11-21-58(56)52-17-13-18-53(43-52)59-23-15-27-68(72(59)77)75(54-35-29-46(5)48(7)41-54)66-39-33-50-32-38-65-67(40-34-51-31-37-64(66)70(50)71(51)65)76(55-36-30-47(6)49(8)42-55)69-28-16-26-63-62-25-14-24-61(73(62)78-74(63)69)60-22-12-10-20-57(60)45(3)4;1-44(2)56-19-9-11-21-58(56)52-17-13-18-53(43-52)59-23-15-27-68(72(59)77)75(54-39-46(5)37-47(6)40-54)66-35-31-50-30-34-65-67(36-32-51-29-33-64(66)70(50)71(51)65)76(55-41-48(7)38-49(8)42-55)69-28-16-26-63-62-25-14-24-61(73(62)78-74(63)69)60-22-12-10-20-57(60)45(3)4;1-44(2)54-19-9-11-21-56(54)52-17-13-18-53(43-52)57-23-15-27-66(72(57)77)75(68-41-46(5)29-31-48(68)7)64-39-35-50-34-38-63-65(40-36-51-33-37-62(64)70(50)71(51)63)76(69-42-47(6)30-32-49(69)8)67-28-16-26-61-60-25-14-24-59(73(60)78-74(61)67)58-22-12-10-20-55(58)45(3)4;;/h5*9-45,77H,1-8H3;2*1H4
InChIKeyFWAUQMQSOKVGBO-UHFFFAOYSA-N
XLogP109.32
TPSA199.25 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds55
Heavy Atoms392
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005088.70
LogP ≤ 5109.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane with MolForge

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Related Compounds

1-N,6-N-bis(2,4-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,5-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,4-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane
CID 157408489
2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)-3,8-di(propan-2-yl)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
CID 129133500
2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)-3,8-di(propan-2-yl)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
CID 129133479
2-(N-[3,8-dicyclopentyl-6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
CID 129133517
2-(N-[6-(2,4-dimethyl-N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-3,8-di(propan-2-yl)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-methylphenyl)phenyl]phenol
CID 129150255
1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine
CID 158236804
1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;ethane
CID 160809344
3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N-(2,5-dimethylphenyl)-6-N-(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane
CID 159691661
2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
CID 129133488
1-N-[6-(dimethyl-λ3-iodanyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)-6-N-(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine
CID 144919297
2-(N-[3,8-di(propan-2-yl)-6-(3-propan-2-yl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3-propan-2-ylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
CID 129133503
2-(N-[3,8-di(propan-2-yl)-6-(4-propan-2-yl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-4-propan-2-ylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
CID 129133505

Frequently Asked Questions

What is the IUPAC name of 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane?
The IUPAC name of 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane (CID 158159059) is 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane.
What is the SMILES notation for 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane?
The canonical SMILES for 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane is C.C.Cc1cc(C)cc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c1.Cc1ccc(C)c(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c1.Cc1ccc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5ccc(C)c(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)cc1C.Cc1ccc(N(c2cccc(-c3cccc(-c4ccccc4C(C)C)c3)c2O)c2ccc3ccc4c(N(c5ccc(C)cc5C)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c(C)c1.Cc1cccc(C)c1N(c1cccc(-c2cccc(-c3ccccc3C(C)C)c2)c1O)c1ccc2ccc3c(N(c4c(C)cccc4C)c4cccc5c4oc4c(-c6ccccc6C(C)C)cccc45)ccc4ccc1c2c43.
What is the InChIKey of 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane?
The InChIKey is FWAUQMQSOKVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C74H62N2O2.2CH4/c1-44(2)54-25-9-11-27-56(54)52-23-15-24-53(43-52)57-29-17-33-66(72(57)77)75(70-46(5)19-13-20-47(70)6)64-41-37-50-36-40-63-65(42-38-51-35-39-62(64)68(50)69(51)63)76(71-48(7)21-14-22-49(71)8)67-34-18-32-61-60-31-16-30-59(73(60)78-74(61)67)58-28-12-10-26-55(58)45(3)4;1-44(2)54-19-9-11-21-56(54)52-17-13-18-53(43-52)57-23-15-27-68(72(57)77)75(64-37-29-46(5)41-48(64)7)66-39-33-50-32-36-63-67(40-34-51-31-35-62(66)70(50)71(51)63)76(65-38-30-47(6)42-49(65)8)69-28-16-26-61-60-25-14-24-59(73(60)78-74(61)69)58-22-12-10-20-55(58)45(3)4;1-44(2)56-19-9-11-21-58(56)52-17-13-18-53(43-52)59-23-15-27-68(72(59)77)75(54-35-29-46(5)48(7)41-54)66-39-33-50-32-38-65-67(40-34-51-31-37-64(66)70(50)71(51)65)76(55-36-30-47(6)49(8)42-55)69-28-16-26-63-62-25-14-24-61(73(62)78-74(63)69)60-22-12-10-20-57(60)45(3)4;1-44(2)56-19-9-11-21-58(56)52-17-13-18-53(43-52)59-23-15-27-68(72(59)77)75(54-39-46(5)37-47(6)40-54)66-35-31-50-30-34-65-67(36-32-51-29-33-64(66)70(50)71(51)65)76(55-41-48(7)38-49(8)42-55)69-28-16-26-63-62-25-14-24-61(73(62)78-74(63)69)60-22-12-10-20-57(60)45(3)4;1-44(2)54-19-9-11-21-56(54)52-17-13-18-53(43-52)57-23-15-27-66(72(57)77)75(68-41-46(5)29-31-48(68)7)64-39-35-50-34-38-63-65(40-36-51-33-37-62(64)70(50)71(51)63)76(69-42-47(6)30-32-49(69)8)67-28-16-26-61-60-25-14-24-59(73(60)78-74(61)67)58-22-12-10-20-55(58)45(3)4;;/h5*9-45,77H,1-8H3;2*1H4.
What are the key properties of 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane?
2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane has a molecular weight of 5088.70 g/mol, XLogP of 109.32, 55 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[6-(2,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,4-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,4-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;2-(N-[6-(3,5-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-3,5-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol;methane is sourced from PubChem (CID 158159059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).