1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene

C202H144N2O2 — CID 162144769

IUPAC1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene
SMILESCC(C)c1ccc(N(c2cc(C(C)C)c3ccc4c(N(c5ccc(C(C)C)cc5)c5cccc6c5oc5ccccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)c3ccccc23)cc1
InChIInChI=1S/C64H56N2O2.C54H34.C48H30.C36H24/c1-37(2)41-23-27-43(28-24-41)65(55-19-13-17-49-45-15-9-11-21-59(45)67-63(49)55)57-35-53(39(5)6)47-32-34-52-58(36-54(40(7)8)48-31-33-51(57)61(47)62(48)52)66(44-29-25-42(26-30-44)38(3)4)56-20-14-18-50-46-16-10-12-22-60(46)68-64(50)56;1-3-13-35(14-4-1)40-29-31-43(36-15-5-2-6-16-36)50(34-40)54-47-23-9-7-21-45(47)52(46-22-8-10-24-48(46)54)42-20-12-19-41(33-42)44-30-27-39-26-25-37-17-11-18-38-28-32-49(44)53(39)51(37)38;1-2-12-31(13-3-1)37-18-4-5-19-39(37)48-42-22-8-6-20-40(42)46(41-21-7-9-23-43(41)48)36-17-11-16-35(30-36)38-28-26-34-25-24-32-14-10-15-33-27-29-44(38)47(34)45(32)33;1-2-13-26(14-3-1)29-16-6-7-17-30(29)36-33-20-10-8-18-31(33)35(32-19-9-11-21-34(32)36)28-23-22-25-12-4-5-15-27(25)24-28/h9-40H,1-8H3;1-34H;1-30H;1-24H
InChIKeyZKKGBHXKXFIJHW-UHFFFAOYSA-N
MW2631.39 g/mol
LogP58.75
Rot. Bonds22

About 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene

1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene (PubChem CID 162144769) has the molecular formula C202H144N2O2 and a molecular weight of 2631.39 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene.

Molecular Properties

Compound Name1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene
PubChem CID162144769
Molecular FormulaC202H144N2O2
Molecular Weight2631.39 g/mol
Exact Mass2629.12
IUPAC Name1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene
SMILESCC(C)c1ccc(N(c2cc(C(C)C)c3ccc4c(N(c5ccc(C(C)C)cc5)c5cccc6c5oc5ccccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)c3ccccc23)cc1
InChIInChI=1S/C64H56N2O2.C54H34.C48H30.C36H24/c1-37(2)41-23-27-43(28-24-41)65(55-19-13-17-49-45-15-9-11-21-59(45)67-63(49)55)57-35-53(39(5)6)47-32-34-52-58(36-54(40(7)8)48-31-33-51(57)61(47)62(48)52)66(44-29-25-42(26-30-44)38(3)4)56-20-14-18-50-46-16-10-12-22-60(46)68-64(50)56;1-3-13-35(14-4-1)40-29-31-43(36-15-5-2-6-16-36)50(34-40)54-47-23-9-7-21-45(47)52(46-22-8-10-24-48(46)54)42-20-12-19-41(33-42)44-30-27-39-26-25-37-17-11-18-38-28-32-49(44)53(39)51(37)38;1-2-12-31(13-3-1)37-18-4-5-19-39(37)48-42-22-8-6-20-40(42)46(41-21-7-9-23-43(41)48)36-17-11-16-35(30-36)38-28-26-34-25-24-32-14-10-15-33-27-29-44(38)47(34)45(32)33;1-2-13-26(14-3-1)29-16-6-7-17-30(29)36-33-20-10-8-18-31(33)35(32-19-9-11-21-34(32)36)28-23-22-25-12-4-5-15-27(25)24-28/h9-40H,1-8H3;1-34H;1-30H;1-24H
InChIKeyZKKGBHXKXFIJHW-UHFFFAOYSA-N
XLogP58.75
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002631.39
LogP ≤ 558.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene with MolForge

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Related Compounds

4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159445590
N-[3-naphthalen-2-yl-2-(6-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 177097122
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 87618177
1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158927265
1-N,6-N-di(dibenzofuran-4-yl)-4,9-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 118929937
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 163744658
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
The IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene (CID 162144769) is 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene.
What is the SMILES notation for 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
The canonical SMILES for 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene is CC(C)c1ccc(N(c2cc(C(C)C)c3ccc4c(N(c5ccc(C(C)C)cc5)c5cccc6c5oc5ccccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)c3ccccc23)cc1.
What is the InChIKey of 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
The InChIKey is ZKKGBHXKXFIJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2O2.C54H34.C48H30.C36H24/c1-37(2)41-23-27-43(28-24-41)65(55-19-13-17-49-45-15-9-11-21-59(45)67-63(49)55)57-35-53(39(5)6)47-32-34-52-58(36-54(40(7)8)48-31-33-51(57)61(47)62(48)52)66(44-29-25-42(26-30-44)38(3)4)56-20-14-18-50-46-16-10-12-22-60(46)68-64(50)56;1-3-13-35(14-4-1)40-29-31-43(36-15-5-2-6-16-36)50(34-40)54-47-23-9-7-21-45(47)52(46-22-8-10-24-48(46)54)42-20-12-19-41(33-42)44-30-27-39-26-25-37-17-11-18-38-28-32-49(44)53(39)51(37)38;1-2-12-31(13-3-1)37-18-4-5-19-39(37)48-42-22-8-6-20-40(42)46(41-21-7-9-23-43(41)48)36-17-11-16-35(30-36)38-28-26-34-25-24-32-14-10-15-33-27-29-44(38)47(34)45(32)33;1-2-13-26(14-3-1)29-16-6-7-17-30(29)36-33-20-10-8-18-31(33)35(32-19-9-11-21-34(32)36)28-23-22-25-12-4-5-15-27(25)24-28/h9-40H,1-8H3;1-34H;1-30H;1-24H.
What are the key properties of 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene has a molecular weight of 2631.39 g/mol, XLogP of 58.75, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene is sourced from PubChem (CID 162144769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).