N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline

C46H31N — CID 170136400

IUPACN-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4ccc5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-13-39(14-3-1)47(40-25-19-33(20-26-40)38-18-17-32-9-4-5-11-37(32)31-38)41-27-21-35(22-28-41)43-16-8-12-36-24-29-44-42-15-7-6-10-34(42)23-30-45(44)46(36)43/h1-31H
InChIKeyAZHBCLUQRNSFGC-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline

N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline (PubChem CID 170136400) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
PubChem CID170136400
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4ccc5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-13-39(14-3-1)47(40-25-19-33(20-26-40)38-18-17-32-9-4-5-11-37(32)31-38)41-27-21-35(22-28-41)43-16-8-12-36-24-29-44-42-15-7-6-10-34(42)23-30-45(44)46(36)43/h1-31H
InChIKeyAZHBCLUQRNSFGC-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-(4-naphthalen-2-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168809650
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline (CID 170136400) is N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4ccc5c6ccccc6ccc5c34)cc2)cc1.
What is the InChIKey of N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
The InChIKey is AZHBCLUQRNSFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-13-39(14-3-1)47(40-25-19-33(20-26-40)38-18-17-32-9-4-5-11-37(32)31-38)41-27-21-35(22-28-41)43-16-8-12-36-24-29-44-42-15-7-6-10-34(42)23-30-45(44)46(36)43/h1-31H.
What are the key properties of N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline 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-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 170136400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).