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

C54H38N2 — CID 170410575

IUPAC3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccc5c(ccc6cccc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)c65)c4c3)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-16-39(17-6-1)43-21-13-27-47(36-43)55(45-23-9-3-10-24-45)49-33-30-41-31-35-51-50(52(41)38-49)34-32-42-20-15-29-53(54(42)51)56(46-25-11-4-12-26-46)48-28-14-22-44(37-48)40-18-7-2-8-19-40/h1-38H
InChIKeyKCTDFMVLEIJBEI-UHFFFAOYSA-N
MW714.91 g/mol
LogP15.42
Rot. Bonds8

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

3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine (PubChem CID 170410575) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine.

Molecular Properties

Compound Name3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine
PubChem CID170410575
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccc5c(ccc6cccc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)c65)c4c3)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-16-39(17-6-1)43-21-13-27-47(36-43)55(45-23-9-3-10-24-45)49-33-30-41-31-35-51-50(52(41)38-49)34-32-42-20-15-29-53(54(42)51)56(46-25-11-4-12-26-46)48-28-14-22-44(37-48)40-18-7-2-8-19-40/h1-38H
InChIKeyKCTDFMVLEIJBEI-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

1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine
CID 170410737
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
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
1-N,9-N-dinaphthalen-2-yl-1-N,9-N-diphenylchrysene-1,9-diamine
CID 170410643
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-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
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-diphenyl-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161474409
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249

Frequently Asked Questions

What is the IUPAC name of 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine?
The IUPAC name of 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine (CID 170410575) is 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine.
What is the SMILES notation for 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine?
The canonical SMILES for 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccc5c(ccc6cccc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)c65)c4c3)c2)cc1.
What is the InChIKey of 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine?
The InChIKey is KCTDFMVLEIJBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-16-39(17-6-1)43-21-13-27-47(36-43)55(45-23-9-3-10-24-45)49-33-30-41-31-35-51-50(52(41)38-49)34-32-42-20-15-29-53(54(42)51)56(46-25-11-4-12-26-46)48-28-14-22-44(37-48)40-18-7-2-8-19-40/h1-38H.
What are the key properties of 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine?
3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-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 3-N,10-N-diphenyl-3-N,10-N-bis(3-phenylphenyl)chrysene-3,10-diamine is sourced from PubChem (CID 170410575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).