N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine

C46H31N — CID 177294692

IUPACN-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc3c4ccccc4c4ccccc4c3cc2N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H31N/c1-3-14-34(15-4-1)43-30-44-41-21-11-9-19-39(41)40-20-10-12-22-42(40)45(44)31-46(43)47(37-17-5-2-6-18-37)38-27-25-33(26-28-38)36-24-23-32-13-7-8-16-35(32)29-36/h1-31H
InChIKeyNGPYRXNHXGXXEB-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine

N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine (PubChem CID 177294692) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine
PubChem CID177294692
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc3c4ccccc4c4ccccc4c3cc2N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H31N/c1-3-14-34(15-4-1)43-30-44-41-21-11-9-19-39(41)40-20-10-12-22-42(40)45(44)31-46(43)47(37-17-5-2-6-18-37)38-27-25-33(26-28-38)36-24-23-32-13-7-8-16-35(32)29-36/h1-31H
InChIKeyNGPYRXNHXGXXEB-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

2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline
CID 170141339
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
1-N,3-N-dinaphthalen-1-yl-1-N,3-N,4,6-tetraphenylbenzene-1,3-diamine;4,6-diphenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine;3-N-naphthalen-2-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine
CID 159990110
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235736
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine (CID 177294692) is N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine is c1ccc(-c2cc3c4ccccc4c4ccccc4c3cc2N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine?
The InChIKey is NGPYRXNHXGXXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-3-14-34(15-4-1)43-30-44-41-21-11-9-19-39(41)40-20-10-12-22-42(40)45(44)31-46(43)47(37-17-5-2-6-18-37)38-27-25-33(26-28-38)36-24-23-32-13-7-8-16-35(32)29-36/h1-31H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine?
N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-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-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine is sourced from PubChem (CID 177294692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).