4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

C46H31N — CID 170141665

IUPAC4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)47(35-16-5-2-6-17-35)46-30-29-42(39-20-11-12-22-43(39)46)45-31-44-37-18-8-7-15-34(37)25-28-41(44)38-19-9-10-21-40(38)45/h1-31H
InChIKeyPROOVDXKXPSZQX-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 170141665) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID170141665
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC Name4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)47(35-16-5-2-6-17-35)46-30-29-42(39-20-11-12-22-43(39)46)45-31-44-37-18-8-7-15-34(37)25-28-41(44)38-19-9-10-21-40(38)45/h1-31H
InChIKeyPROOVDXKXPSZQX-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline
CID 170141339
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine
CID 167182110

Frequently Asked Questions

What is the IUPAC name of 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 170141665) is 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is PROOVDXKXPSZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)47(35-16-5-2-6-17-35)46-30-29-42(39-20-11-12-22-43(39)46)45-31-44-37-18-8-7-15-34(37)25-28-41(44)38-19-9-10-21-40(38)45/h1-31H.
What are the key properties of 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 597.76 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170141665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).