N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine

C38H27N — CID 155304286

IUPACN,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C38H27N/c1-4-15-28(16-5-1)30-19-14-22-32(27-30)39(31-20-8-3-9-21-31)38-36-26-13-11-24-34(36)33-23-10-12-25-35(33)37(38)29-17-6-2-7-18-29/h1-27H
InChIKeySXGFTDHXBLFECX-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.80
Rot. Bonds5

About N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine

N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155304286) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
PubChem CID155304286
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC NameN,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C38H27N/c1-4-15-28(16-5-1)30-19-14-22-32(27-30)39(31-20-8-3-9-21-31)38-36-26-13-11-24-34(36)33-23-10-12-25-35(33)37(38)29-17-6-2-7-18-29/h1-27H
InChIKeySXGFTDHXBLFECX-UHFFFAOYSA-N
XLogP10.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.80
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-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305411
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine
CID 155304457
N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine
CID 155304186
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169063469

Frequently Asked Questions

What is the IUPAC name of N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine (CID 155304286) is N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine is c1ccc(-c2cccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is SXGFTDHXBLFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-4-15-28(16-5-1)30-19-14-22-32(27-30)39(31-20-8-3-9-21-31)38-36-26-13-11-24-34(36)33-23-10-12-25-35(33)37(38)29-17-6-2-7-18-29/h1-27H.
What are the key properties of N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine?
N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine has a molecular weight of 497.64 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155304286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).