6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine

C234H170N10 — CID 158234025

IUPAC6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(C)cc4)cc3c3ccccc23)cc1.Cc1cccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4cccc(C)c4)cc3c3ccccc23)c1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c5ccccc5c(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4c4ccccc34)c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)cc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3ccccc23)cc1
InChIInChI=1S/C54H38N2.C50H34N2.2C44H34N2.C42H30N2/c1-5-19-39(20-6-1)41-23-17-29-45(35-41)55(43-25-9-3-10-26-43)53-37-51-48-32-14-16-34-50(48)54(38-52(51)47-31-13-15-33-49(47)53)56(44-27-11-4-12-28-44)46-30-18-24-42(36-46)40-21-7-2-8-22-40;1-3-19-39(20-4-1)51(41-29-27-35-15-7-9-17-37(35)31-41)49-33-47-44-24-12-14-26-46(44)50(34-48(47)43-23-11-13-25-45(43)49)52(40-21-5-2-6-22-40)42-30-28-36-16-8-10-18-38(36)32-42;1-31-15-13-21-35(27-31)45(33-17-5-3-6-18-33)43-29-41-38-24-10-12-26-40(38)44(30-42(41)37-23-9-11-25-39(37)43)46(34-19-7-4-8-20-34)36-22-14-16-32(2)28-36;1-31-21-25-35(26-22-31)45(33-13-5-3-6-14-33)43-29-41-38-18-10-12-20-40(38)44(30-42(41)37-17-9-11-19-39(37)43)46(34-15-7-4-8-16-34)36-27-23-32(2)24-28-36;1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-36-26-14-16-28-38(36)42(30-40(39)35-25-13-15-27-37(35)41)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-38H;1-34H;2*3-30H,1-2H3;1-30H
InChIKeyGESVJSQCBJROPD-UHFFFAOYSA-N
MW3122.00 g/mol
LogP67.30
Rot. Bonds32

About 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine

6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine (PubChem CID 158234025) has the molecular formula C234H170N10 and a molecular weight of 3122.00 g/mol. Its IUPAC name is 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
PubChem CID158234025
Molecular FormulaC234H170N10
Molecular Weight3122.00 g/mol
Exact Mass3119.36
IUPAC Name6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(C)cc4)cc3c3ccccc23)cc1.Cc1cccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4cccc(C)c4)cc3c3ccccc23)c1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c5ccccc5c(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4c4ccccc34)c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)cc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3ccccc23)cc1
InChIInChI=1S/C54H38N2.C50H34N2.2C44H34N2.C42H30N2/c1-5-19-39(20-6-1)41-23-17-29-45(35-41)55(43-25-9-3-10-26-43)53-37-51-48-32-14-16-34-50(48)54(38-52(51)47-31-13-15-33-49(47)53)56(44-27-11-4-12-28-44)46-30-18-24-42(36-46)40-21-7-2-8-22-40;1-3-19-39(20-4-1)51(41-29-27-35-15-7-9-17-37(35)31-41)49-33-47-44-24-12-14-26-46(44)50(34-48(47)43-23-11-13-25-45(43)49)52(40-21-5-2-6-22-40)42-30-28-36-16-8-10-18-38(36)32-42;1-31-15-13-21-35(27-31)45(33-17-5-3-6-18-33)43-29-41-38-24-10-12-26-40(38)44(30-42(41)37-23-9-11-25-39(37)43)46(34-19-7-4-8-20-34)36-22-14-16-32(2)28-36;1-31-21-25-35(26-22-31)45(33-13-5-3-6-14-33)43-29-41-38-18-10-12-20-40(38)44(30-42(41)37-17-9-11-19-39(37)43)46(34-15-7-4-8-16-34)36-27-23-32(2)24-28-36;1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-36-26-14-16-28-38(36)42(30-40(39)35-25-13-15-27-37(35)41)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-38H;1-34H;2*3-30H,1-2H3;1-30H
InChIKeyGESVJSQCBJROPD-UHFFFAOYSA-N
XLogP67.30
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms244
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003122.00
LogP ≤ 567.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine with MolForge

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Related Compounds

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;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
CID 143269183
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
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
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
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
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine (CID 158234025) is 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine is Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(C)cc4)cc3c3ccccc23)cc1.Cc1cccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4cccc(C)c4)cc3c3ccccc23)c1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c5ccccc5c(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4c4ccccc34)c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)cc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3ccccc23)cc1.
What is the InChIKey of 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
The InChIKey is GESVJSQCBJROPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2.C50H34N2.2C44H34N2.C42H30N2/c1-5-19-39(20-6-1)41-23-17-29-45(35-41)55(43-25-9-3-10-26-43)53-37-51-48-32-14-16-34-50(48)54(38-52(51)47-31-13-15-33-49(47)53)56(44-27-11-4-12-28-44)46-30-18-24-42(36-46)40-21-7-2-8-22-40;1-3-19-39(20-4-1)51(41-29-27-35-15-7-9-17-37(35)31-41)49-33-47-44-24-12-14-26-46(44)50(34-48(47)43-23-11-13-25-45(43)49)52(40-21-5-2-6-22-40)42-30-28-36-16-8-10-18-38(36)32-42;1-31-15-13-21-35(27-31)45(33-17-5-3-6-18-33)43-29-41-38-24-10-12-26-40(38)44(30-42(41)37-23-9-11-25-39(37)43)46(34-19-7-4-8-20-34)36-22-14-16-32(2)28-36;1-31-21-25-35(26-22-31)45(33-13-5-3-6-14-33)43-29-41-38-18-10-12-20-40(38)44(30-42(41)37-17-9-11-19-39(37)43)46(34-15-7-4-8-16-34)36-27-23-32(2)24-28-36;1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-36-26-14-16-28-38(36)42(30-40(39)35-25-13-15-27-37(35)41)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-38H;1-34H;2*3-30H,1-2H3;1-30H.
What are the key properties of 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine has a molecular weight of 3122.00 g/mol, XLogP of 67.30, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine is sourced from PubChem (CID 158234025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).