N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine

C40H27N — CID 170135515

IUPACN-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccccc3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-13-29(14-3-1)34-18-10-11-21-39(34)41(32-24-22-28-12-4-5-16-31(28)26-32)40-27-38-33-17-7-6-15-30(33)23-25-36(38)35-19-8-9-20-37(35)40/h1-27H
InChIKeyHTVIEQRZVQKZLG-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.44
Rot. Bonds4

About N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine

N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine (PubChem CID 170135515) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
PubChem CID170135515
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC NameN-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccccc3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-13-29(14-3-1)34-18-10-11-21-39(34)41(32-24-22-28-12-4-5-16-31(28)26-32)40-27-38-33-17-7-6-15-30(33)23-25-36(38)35-19-8-9-20-37(35)40/h1-27H
InChIKeyHTVIEQRZVQKZLG-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 511.44
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-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170135459
N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170130600
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170139066
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 164774155
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine (CID 170135515) is N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine is c1ccc(-c2ccccc2N(c2ccc3ccccc3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine?
The InChIKey is HTVIEQRZVQKZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-2-13-29(14-3-1)34-18-10-11-21-39(34)41(32-24-22-28-12-4-5-16-31(28)26-32)40-27-38-33-17-7-6-15-30(33)23-25-36(38)35-19-8-9-20-37(35)40/h1-27H.
What are the key properties of N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine?
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine has a molecular weight of 521.66 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 170135515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).