10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine

C42H29N — CID 155303869

IUPAC10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-3-16-31(17-4-1)34-23-13-14-29-40(34)43(32-20-5-2-6-21-32)42-39-27-12-10-25-36(39)35-24-9-11-26-38(35)41(42)37-28-15-19-30-18-7-8-22-33(30)37/h1-29H
InChIKeyQSDKZKXVTZSHLS-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine

10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine (PubChem CID 155303869) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound Name10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
PubChem CID155303869
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-3-16-31(17-4-1)34-23-13-14-29-40(34)43(32-20-5-2-6-21-32)42-39-27-12-10-25-36(39)35-24-9-11-26-38(35)41(42)37-28-15-19-30-18-7-8-22-33(30)37/h1-29H
InChIKeyQSDKZKXVTZSHLS-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.95
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

10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155305179
1-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 164774553
N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303334
N-phenyl-N-(2-phenylphenyl)anthracen-9-amine
CID 22630557
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
CID 23534512
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155304619
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155305510
N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155303754
4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
CID 121322882

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
The IUPAC name of 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine (CID 155303869) is 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
The InChIKey is QSDKZKXVTZSHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-3-16-31(17-4-1)34-23-13-14-29-40(34)43(32-20-5-2-6-21-32)42-39-27-12-10-25-36(39)35-24-9-11-26-38(35)41(42)37-28-15-19-30-18-7-8-22-33(30)37/h1-29H.
What are the key properties of 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine has a molecular weight of 547.70 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155303869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).