10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine

C48H33N — CID 155305179

IUPAC10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C48H33N/c1-3-17-34(18-4-1)37-23-15-24-38(33-37)49(46-32-14-13-26-40(46)36-19-5-2-6-20-36)48-45-30-12-10-28-42(45)41-27-9-11-29-44(41)47(48)43-31-16-22-35-21-7-8-25-39(35)43/h1-33H
InChIKeyWVFIORQWWZOEQI-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

About 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine

10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155305179) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound Name10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
PubChem CID155305179
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C48H33N/c1-3-17-34(18-4-1)37-23-15-24-38(33-37)49(46-32-14-13-26-40(46)36-19-5-2-6-20-36)48-45-30-12-10-28-42(45)41-27-9-11-29-44(41)47(48)43-31-16-22-35-21-7-8-25-39(35)43/h1-33H
InChIKeyWVFIORQWWZOEQI-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
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-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303869
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155305510
N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
1-naphthalen-1-yl-N,N-bis(2-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N,N-bis(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 164980221
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304496
N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155304619
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine (CID 155305179) is 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine is c1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is WVFIORQWWZOEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-3-17-34(18-4-1)37-23-15-24-38(33-37)49(46-32-14-13-26-40(46)36-19-5-2-6-20-36)48-45-30-12-10-28-42(45)41-27-9-11-29-44(41)47(48)43-31-16-22-35-21-7-8-25-39(35)43/h1-33H.
What are the key properties of 10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine?
10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 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-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155305179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).