N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine

C42H29N — CID 155303616

IUPACN-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-2-12-30(13-3-1)33-17-10-19-37(27-33)43(42-29-36-16-6-7-21-39(36)40-22-8-9-23-41(40)42)38-20-11-18-34(28-38)35-25-24-31-14-4-5-15-32(31)26-35/h1-29H
InChIKeyVRRCUQJKEBJXFM-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine

N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155303616) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
PubChem CID155303616
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-2-12-30(13-3-1)33-17-10-19-37(27-33)43(42-29-36-16-6-7-21-39(36)40-22-8-9-23-41(40)42)38-20-11-18-34(28-38)35-25-24-31-14-4-5-15-32(31)26-35/h1-29H
InChIKeyVRRCUQJKEBJXFM-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

N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812
N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303560
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 169064123
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172501021
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-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-(3,5-diphenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 177079916

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine (CID 155303616) is N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is VRRCUQJKEBJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-12-30(13-3-1)33-17-10-19-37(27-33)43(42-29-36-16-6-7-21-39(36)40-22-8-9-23-41(40)42)38-20-11-18-34(28-38)35-25-24-31-14-4-5-15-32(31)26-35/h1-29H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
N-(3-naphthalen-2-ylphenyl)-N-(3-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 N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155303616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).