N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine

C46H31N — CID 170135686

IUPACN-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C46H31N/c1-2-11-32(12-3-1)37-16-10-17-39(29-37)47(40-27-21-33-13-4-5-15-36(33)30-40)38-25-22-35(23-26-38)45-31-46-41-18-7-6-14-34(41)24-28-44(46)42-19-8-9-20-43(42)45/h1-31H
InChIKeyQBSDZSGJXMTZKI-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine

N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 170135686) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID170135686
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C46H31N/c1-2-11-32(12-3-1)37-16-10-17-39(29-37)47(40-27-21-33-13-4-5-15-36(33)30-40)38-25-22-35(23-26-38)45-31-46-41-18-7-6-14-34(41)24-28-44(46)42-19-8-9-20-43(42)45/h1-31H
InChIKeyQBSDZSGJXMTZKI-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

3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
CID 174257838
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-(4-benzo[c]phenanthren-6-ylphenyl)-3-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183283
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170137061
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
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-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170141997

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine (CID 170135686) is N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is QBSDZSGJXMTZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-11-32(12-3-1)37-16-10-17-39(29-37)47(40-27-21-33-13-4-5-15-36(33)30-40)38-25-22-35(23-26-38)45-31-46-41-18-7-6-14-34(41)24-28-44(46)42-19-8-9-20-43(42)45/h1-31H.
What are the key properties of N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-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 N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170135686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).