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

C46H31N — CID 170135464

IUPACN-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-11-32(12-3-1)34-23-26-39(27-24-34)47(40-17-10-16-37(30-40)38-22-21-33-13-4-5-15-36(33)29-38)46-31-45-41-18-7-6-14-35(41)25-28-43(45)42-19-8-9-20-44(42)46/h1-31H
InChIKeyJHGFGQLRJRCPDP-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

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

N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine (PubChem CID 170135464) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
PubChem CID170135464
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-11-32(12-3-1)34-23-26-39(27-24-34)47(40-17-10-16-37(30-40)38-22-21-33-13-4-5-15-36(33)29-38)46-31-45-41-18-7-6-14-35(41)25-28-43(45)42-19-8-9-20-44(42)46/h1-31H
InChIKeyJHGFGQLRJRCPDP-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

N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616
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
1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 166917482
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
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
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine (CID 170135464) is N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
The InChIKey is JHGFGQLRJRCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-11-32(12-3-1)34-23-26-39(27-24-34)47(40-17-10-16-37(30-40)38-22-21-33-13-4-5-15-36(33)29-38)46-31-45-41-18-7-6-14-35(41)25-28-43(45)42-19-8-9-20-44(42)46/h1-31H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine?
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-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-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 170135464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).