N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine

C58H39N — CID 170054534

IUPACN-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)c(-c4ccc5ccccc5c4)c3)c3cccc4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39N/c1-3-17-41(18-4-1)50-34-32-47(38-55(50)43-19-5-2-6-20-43)59(58-29-15-24-42-21-9-12-26-51(42)58)48-33-35-54(56(39-48)46-31-30-40-16-7-8-22-44(40)36-46)57-37-45-23-10-11-25-49(45)52-27-13-14-28-53(52)57/h1-39H
InChIKeyIUBRYDQYNAQADN-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine

N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine (PubChem CID 170054534) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine
PubChem CID170054534
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)c(-c4ccc5ccccc5c4)c3)c3cccc4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39N/c1-3-17-41(18-4-1)50-34-32-47(38-55(50)43-19-5-2-6-20-43)59(58-29-15-24-42-21-9-12-26-51(42)58)48-33-35-54(56(39-48)46-31-30-40-16-7-8-22-44(40)36-46)57-37-45-23-10-11-25-49(45)52-27-13-14-28-53(52)57/h1-39H
InChIKeyIUBRYDQYNAQADN-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
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-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 177081066
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 164831527
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477659
N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007147
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-[2-(2-phenanthren-9-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 169007541
N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine
CID 167236522
N-[2-phenanthren-9-yl-3-(2-phenylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177274846
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine (CID 170054534) is N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)c(-c4ccc5ccccc5c4)c3)c3cccc4ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine?
The InChIKey is IUBRYDQYNAQADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-3-17-41(18-4-1)50-34-32-47(38-55(50)43-19-5-2-6-20-43)59(58-29-15-24-42-21-9-12-26-51(42)58)48-33-35-54(56(39-48)46-31-30-40-16-7-8-22-44(40)36-46)57-37-45-23-10-11-25-49(45)52-27-13-14-28-53(52)57/h1-39H.
What are the key properties of N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine?
N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170054534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).