N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine

C56H39N — CID 177081043

IUPACN-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H39N/c1-4-16-40(17-5-1)49-23-12-14-26-53(49)54-27-15-13-24-50(54)44-30-33-46(34-31-44)57(47-35-32-45-29-28-43-22-10-11-25-51(43)56(45)38-47)48-36-37-52(41-18-6-2-7-19-41)55(39-48)42-20-8-3-9-21-42/h1-39H
InChIKeyYIRNIGCQCGAMEM-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine

N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine (PubChem CID 177081043) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
PubChem CID177081043
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H39N/c1-4-16-40(17-5-1)49-23-12-14-26-53(49)54-27-15-13-24-50(54)44-30-33-46(34-31-44)57(47-35-32-45-29-28-43-22-10-11-25-51(43)56(45)38-47)48-36-37-52(41-18-6-2-7-19-41)55(39-48)42-20-8-3-9-21-42/h1-39H
InChIKeyYIRNIGCQCGAMEM-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.80
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

N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177081062
N-[4-(4-fluorophenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080976
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
CID 177081123
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080980
N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
CID 177080942
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 167184269

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine (CID 177081043) is N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
The InChIKey is YIRNIGCQCGAMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-4-16-40(17-5-1)49-23-12-14-26-53(49)54-27-15-13-24-50(54)44-30-33-46(34-31-44)57(47-35-32-45-29-28-43-22-10-11-25-51(43)56(45)38-47)48-36-37-52(41-18-6-2-7-19-41)55(39-48)42-20-8-3-9-21-42/h1-39H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine has a molecular weight of 725.94 g/mol, XLogP of 15.80, 8 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-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine is sourced from PubChem (CID 177081043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).