7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine

C216H162N6O6 — CID 159865110

IUPAC7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
SMILESCc1ccc(-c2ccccc2)cc1N(c1cc(N(c2cc(-c3ccccc3)ccc2C)c2cccc3c2oc2ccccc23)c2ccc3cc(C4CCCCC4)cc4ccc1c2c43)c1cccc2c1oc1ccccc12.Cc1ccc(C)c(N(c2cc(N(c3cc(C)ccc3C)c3cccc4c3oc3ccccc34)c3ccc4cc(C5CCCCC5)cc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3cc(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc5cc(C6CCCCC6)cc6ccc3c4c65)c3cccc4c3oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C82H58N2O2.C72H54N2O2.C62H50N2O2/c1-6-22-53(23-7-1)58-42-46-71(69(50-58)56-28-12-4-13-29-56)83(73-36-20-34-65-63-32-16-18-38-77(63)85-81(65)73)75-52-76(68-45-41-61-49-62(55-26-10-3-11-27-55)48-60-40-44-67(75)80(68)79(60)61)84(74-37-21-35-66-64-33-17-19-39-78(64)86-82(66)74)72-47-43-59(54-24-8-2-9-25-54)51-70(72)57-30-14-5-15-31-57;1-45-32-34-50(47-18-6-3-7-19-47)42-63(45)73(61-28-16-26-57-55-24-12-14-30-67(55)75-71(57)61)65-44-66(60-39-37-53-41-54(49-22-10-5-11-23-49)40-52-36-38-59(65)70(60)69(52)53)74(64-43-51(35-33-46(64)2)48-20-8-4-9-21-48)62-29-17-27-58-56-25-13-15-31-68(56)76-72(58)62;1-37-24-26-39(3)53(32-37)63(51-20-12-18-47-45-16-8-10-22-57(45)65-61(47)51)55-36-56(50-31-29-43-35-44(41-14-6-5-7-15-41)34-42-28-30-49(55)60(50)59(42)43)64(54-33-38(2)25-27-40(54)4)52-21-13-19-48-46-17-9-11-23-58(46)66-62(48)52/h1-2,4-9,12-25,28-52,55H,3,10-11,26-27H2;3-4,6-9,12-21,24-44,49H,5,10-11,22-23H2,1-2H3;8-13,16-36,41H,5-7,14-15H2,1-4H3
InChIKeyNRQDVTITCPGKKY-UHFFFAOYSA-N
MW2937.71 g/mol
LogP63.96
Rot. Bonds27

About 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine

7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine (PubChem CID 159865110) has the molecular formula C216H162N6O6 and a molecular weight of 2937.71 g/mol. Its IUPAC name is 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine.

Molecular Properties

Compound Name7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
PubChem CID159865110
Molecular FormulaC216H162N6O6
Molecular Weight2937.71 g/mol
Exact Mass2935.26
IUPAC Name7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
SMILESCc1ccc(-c2ccccc2)cc1N(c1cc(N(c2cc(-c3ccccc3)ccc2C)c2cccc3c2oc2ccccc23)c2ccc3cc(C4CCCCC4)cc4ccc1c2c43)c1cccc2c1oc1ccccc12.Cc1ccc(C)c(N(c2cc(N(c3cc(C)ccc3C)c3cccc4c3oc3ccccc34)c3ccc4cc(C5CCCCC5)cc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3cc(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc5cc(C6CCCCC6)cc6ccc3c4c65)c3cccc4c3oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C82H58N2O2.C72H54N2O2.C62H50N2O2/c1-6-22-53(23-7-1)58-42-46-71(69(50-58)56-28-12-4-13-29-56)83(73-36-20-34-65-63-32-16-18-38-77(63)85-81(65)73)75-52-76(68-45-41-61-49-62(55-26-10-3-11-27-55)48-60-40-44-67(75)80(68)79(60)61)84(74-37-21-35-66-64-33-17-19-39-78(64)86-82(66)74)72-47-43-59(54-24-8-2-9-25-54)51-70(72)57-30-14-5-15-31-57;1-45-32-34-50(47-18-6-3-7-19-47)42-63(45)73(61-28-16-26-57-55-24-12-14-30-67(55)75-71(57)61)65-44-66(60-39-37-53-41-54(49-22-10-5-11-23-49)40-52-36-38-59(65)70(60)69(52)53)74(64-43-51(35-33-46(64)2)48-20-8-4-9-21-48)62-29-17-27-58-56-25-13-15-31-68(56)76-72(58)62;1-37-24-26-39(3)53(32-37)63(51-20-12-18-47-45-16-8-10-22-57(45)65-61(47)51)55-36-56(50-31-29-43-35-44(41-14-6-5-7-15-41)34-42-28-30-49(55)60(50)59(42)43)64(54-33-38(2)25-27-40(54)4)52-21-13-19-48-46-17-9-11-23-58(46)66-62(48)52/h1-2,4-9,12-25,28-52,55H,3,10-11,26-27H2;3-4,6-9,12-21,24-44,49H,5,10-11,22-23H2,1-2H3;8-13,16-36,41H,5-7,14-15H2,1-4H3
InChIKeyNRQDVTITCPGKKY-UHFFFAOYSA-N
XLogP63.96
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002937.71
LogP ≤ 563.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine
CID 122578950
7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(5-methyl-2-phenylphenyl)pyrene-1,3-diamine
CID 122578953
3,8-dicyclopentyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2,5-dimethylphenyl)pyrene-1,6-diamine
CID 121274506
7-tert-butyl-1-N,3-N-bis(2,5-dimethylphenyl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(2-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,1-N,3-N,3-N-tetrakis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
CID 160798873
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-dimethylphenyl)-7-methylpyrene-1,3-diamine
CID 122578846
7-tert-butyl-1-N,3-N-di(dibenzothiophen-4-yl)-1-N,3-N-bis(2-methylphenyl)pyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzothiophen-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,3-diamine
CID 159113676
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-methylnaphthalen-1-yl)-3,8-diphenylpyrene-1,6-diamine
CID 159400062
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,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158236047
N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
CID 158759545
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,5-diamine
CID 165097667

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine?
The IUPAC name of 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine (CID 159865110) is 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine.
What is the SMILES notation for 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine?
The canonical SMILES for 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine is Cc1ccc(-c2ccccc2)cc1N(c1cc(N(c2cc(-c3ccccc3)ccc2C)c2cccc3c2oc2ccccc23)c2ccc3cc(C4CCCCC4)cc4ccc1c2c43)c1cccc2c1oc1ccccc12.Cc1ccc(C)c(N(c2cc(N(c3cc(C)ccc3C)c3cccc4c3oc3ccccc34)c3ccc4cc(C5CCCCC5)cc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3cc(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc5cc(C6CCCCC6)cc6ccc3c4c65)c3cccc4c3oc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine?
The InChIKey is NRQDVTITCPGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N2O2.C72H54N2O2.C62H50N2O2/c1-6-22-53(23-7-1)58-42-46-71(69(50-58)56-28-12-4-13-29-56)83(73-36-20-34-65-63-32-16-18-38-77(63)85-81(65)73)75-52-76(68-45-41-61-49-62(55-26-10-3-11-27-55)48-60-40-44-67(75)80(68)79(60)61)84(74-37-21-35-66-64-33-17-19-39-78(64)86-82(66)74)72-47-43-59(54-24-8-2-9-25-54)51-70(72)57-30-14-5-15-31-57;1-45-32-34-50(47-18-6-3-7-19-47)42-63(45)73(61-28-16-26-57-55-24-12-14-30-67(55)75-71(57)61)65-44-66(60-39-37-53-41-54(49-22-10-5-11-23-49)40-52-36-38-59(65)70(60)69(52)53)74(64-43-51(35-33-46(64)2)48-20-8-4-9-21-48)62-29-17-27-58-56-25-13-15-31-68(56)76-72(58)62;1-37-24-26-39(3)53(32-37)63(51-20-12-18-47-45-16-8-10-22-57(45)65-61(47)51)55-36-56(50-31-29-43-35-44(41-14-6-5-7-15-41)34-42-28-30-49(55)60(50)59(42)43)64(54-33-38(2)25-27-40(54)4)52-21-13-19-48-46-17-9-11-23-58(46)66-62(48)52/h1-2,4-9,12-25,28-52,55H,3,10-11,26-27H2;3-4,6-9,12-21,24-44,49H,5,10-11,22-23H2,1-2H3;8-13,16-36,41H,5-7,14-15H2,1-4H3.
What are the key properties of 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine?
7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine has a molecular weight of 2937.71 g/mol, XLogP of 63.96, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,5-dimethylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-diphenylphenyl)pyrene-1,3-diamine;7-cyclohexyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine is sourced from PubChem (CID 159865110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).