1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine

C54H38N2 — CID 170410737

IUPAC1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3ccc3c4ccc4cccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c43)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-17-39(18-6-1)42-22-13-28-46(37-42)55(44-24-9-3-10-25-44)52-31-16-30-48-49-34-33-41-21-15-32-53(54(41)51(49)36-35-50(48)52)56(45-26-11-4-12-27-45)47-29-14-23-43(38-47)40-19-7-2-8-20-40/h1-38H
InChIKeyZCNCWQRLGWJPLH-UHFFFAOYSA-N
MW714.91 g/mol
LogP15.42
Rot. Bonds8

About 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine

1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine (PubChem CID 170410737) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine.

Molecular Properties

Compound Name1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine
PubChem CID170410737
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3ccc3c4ccc4cccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c43)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-17-39(18-6-1)42-22-13-28-46(37-42)55(44-24-9-3-10-25-44)52-31-16-30-48-49-34-33-41-21-15-32-53(54(41)51(49)36-35-50(48)52)56(45-26-11-4-12-27-45)47-29-14-23-43(38-47)40-19-7-2-8-20-40/h1-38H
InChIKeyZCNCWQRLGWJPLH-UHFFFAOYSA-N
XLogP15.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine
CID 170410575
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100436
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-(4-naphthalen-2-ylphenyl)-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100103
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464

Frequently Asked Questions

What is the IUPAC name of 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine?
The IUPAC name of 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine (CID 170410737) is 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine.
What is the SMILES notation for 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine?
The canonical SMILES for 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3ccc3c4ccc4cccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c43)c2)cc1.
What is the InChIKey of 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine?
The InChIKey is ZCNCWQRLGWJPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-17-39(18-6-1)42-22-13-28-46(37-42)55(44-24-9-3-10-25-44)52-31-16-30-48-49-34-33-41-21-15-32-53(54(41)51(49)36-35-50(48)52)56(45-26-11-4-12-27-45)47-29-14-23-43(38-47)40-19-7-2-8-20-40/h1-38H.
What are the key properties of 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine?
1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine has a molecular weight of 714.91 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine is sourced from PubChem (CID 170410737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).