6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine

C234H176N8 — CID 159999611

IUPAC6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine
SMILESCC(C)Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(CC(C)C)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4c(N(c4ccc(C)cc4)c4cccc5ccccc45)cc3c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c4ccccc34)cc2)cc1
InChIInChI=1S/2C66H46N2.C52H38N2.C50H46N2/c1-5-17-47(18-6-1)51-29-37-55(38-30-51)67(56-39-31-52(32-40-56)48-19-7-2-8-20-48)65-45-63-60-26-14-16-28-62(60)66(46-64(63)59-25-13-15-27-61(59)65)68(57-41-33-53(34-42-57)49-21-9-3-10-22-49)58-43-35-54(36-44-58)50-23-11-4-12-24-50;1-5-17-47(18-6-1)49-29-33-51(34-30-49)53-37-41-57(42-38-53)67(55-21-9-3-10-22-55)65-45-63-60-26-14-16-28-62(60)66(46-64(63)59-25-13-15-27-61(59)65)68(56-23-11-4-12-24-56)58-43-39-54(40-44-58)52-35-31-50(32-36-52)48-19-7-2-8-20-48;1-35-25-29-39(30-26-35)53(49-23-11-15-37-13-3-5-17-41(37)49)51-33-47-44-20-8-10-22-46(44)52(34-48(47)43-19-7-9-21-45(43)51)54(40-31-27-36(2)28-32-40)50-24-12-16-38-14-4-6-18-42(38)50;1-35(2)31-37-23-27-41(28-24-37)51(39-15-7-5-8-16-39)49-33-47-44-20-12-14-22-46(44)50(34-48(47)43-19-11-13-21-45(43)49)52(40-17-9-6-10-18-40)42-29-25-38(26-30-42)32-36(3)4/h2*1-46H;3-34H,1-2H3;5-30,33-36H,31-32H2,1-4H3
InChIKeyOHZOHAKFDBYQIA-UHFFFAOYSA-N
MW3100.04 g/mol
LogP67.00
Rot. Bonds36

About 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine

6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine (PubChem CID 159999611) has the molecular formula C234H176N8 and a molecular weight of 3100.04 g/mol. Its IUPAC name is 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine
PubChem CID159999611
Molecular FormulaC234H176N8
Molecular Weight3100.04 g/mol
Exact Mass3097.40
IUPAC Name6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine
SMILESCC(C)Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(CC(C)C)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4c(N(c4ccc(C)cc4)c4cccc5ccccc45)cc3c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c4ccccc34)cc2)cc1
InChIInChI=1S/2C66H46N2.C52H38N2.C50H46N2/c1-5-17-47(18-6-1)51-29-37-55(38-30-51)67(56-39-31-52(32-40-56)48-19-7-2-8-20-48)65-45-63-60-26-14-16-28-62(60)66(46-64(63)59-25-13-15-27-61(59)65)68(57-41-33-53(34-42-57)49-21-9-3-10-22-49)58-43-35-54(36-44-58)50-23-11-4-12-24-50;1-5-17-47(18-6-1)49-29-33-51(34-30-49)53-37-41-57(42-38-53)67(55-21-9-3-10-22-55)65-45-63-60-26-14-16-28-62(60)66(46-64(63)59-25-13-15-27-61(59)65)68(56-23-11-4-12-24-56)58-43-39-54(40-44-58)52-35-31-50(32-36-52)48-19-7-2-8-20-48;1-35-25-29-39(30-26-35)53(49-23-11-15-37-13-3-5-17-41(37)49)51-33-47-44-20-8-10-22-46(44)52(34-48(47)43-19-7-9-21-45(43)51)54(40-31-27-36(2)28-32-40)50-24-12-16-38-14-4-6-18-42(38)50;1-35(2)31-37-23-27-41(28-24-37)51(39-15-7-5-8-16-39)49-33-47-44-20-12-14-22-46(44)50(34-48(47)43-19-11-13-21-45(43)49)52(40-17-9-6-10-18-40)42-29-25-38(26-30-42)32-36(3)4/h2*1-46H;3-34H,1-2H3;5-30,33-36H,31-32H2,1-4H3
InChIKeyOHZOHAKFDBYQIA-UHFFFAOYSA-N
XLogP67.00
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms242
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003100.04
LogP ≤ 567.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine with MolForge

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Related Compounds

6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-4-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N-naphthalen-1-yl-4-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N,4-N-trinaphthalen-1-ylbenzene-1,4-diamine
CID 158255176
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine (CID 159999611) is 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine is CC(C)Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(CC(C)C)cc4)cc3c3ccccc23)cc1.Cc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4c(N(c4ccc(C)cc4)c4cccc5ccccc45)cc3c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c4ccccc34)cc2)cc1.
What is the InChIKey of 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine?
The InChIKey is OHZOHAKFDBYQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H46N2.C52H38N2.C50H46N2/c1-5-17-47(18-6-1)51-29-37-55(38-30-51)67(56-39-31-52(32-40-56)48-19-7-2-8-20-48)65-45-63-60-26-14-16-28-62(60)66(46-64(63)59-25-13-15-27-61(59)65)68(57-41-33-53(34-42-57)49-21-9-3-10-22-49)58-43-35-54(36-44-58)50-23-11-4-12-24-50;1-5-17-47(18-6-1)49-29-33-51(34-30-49)53-37-41-57(42-38-53)67(55-21-9-3-10-22-55)65-45-63-60-26-14-16-28-62(60)66(46-64(63)59-25-13-15-27-61(59)65)68(56-23-11-4-12-24-56)58-43-39-54(40-44-58)52-35-31-50(32-36-52)48-19-7-2-8-20-48;1-35-25-29-39(30-26-35)53(49-23-11-15-37-13-3-5-17-41(37)49)51-33-47-44-20-8-10-22-46(44)52(34-48(47)43-19-7-9-21-45(43)51)54(40-31-27-36(2)28-32-40)50-24-12-16-38-14-4-6-18-42(38)50;1-35(2)31-37-23-27-41(28-24-37)51(39-15-7-5-8-16-39)49-33-47-44-20-12-14-22-46(44)50(34-48(47)43-19-11-13-21-45(43)49)52(40-17-9-6-10-18-40)42-29-25-38(26-30-42)32-36(3)4/h2*1-46H;3-34H,1-2H3;5-30,33-36H,31-32H2,1-4H3.
What are the key properties of 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine?
6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine has a molecular weight of 3100.04 g/mol, XLogP of 67.00, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(4-methylphenyl)-6-N,12-N-dinaphthalen-1-ylchrysene-6,12-diamine;6-N,12-N-bis[4-(2-methylpropyl)phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-phenylphenyl)chrysene-6,12-diamine is sourced from PubChem (CID 159999611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).