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

C56H39N — CID 177080967

IUPACN-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c5ccc6ccc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-12-40(13-5-1)41-20-22-42(23-21-41)43-24-26-44(27-25-43)45-30-33-50(34-31-45)57(51-35-32-49-29-28-48-18-10-11-19-53(48)56(49)38-51)52-36-37-54(46-14-6-2-7-15-46)55(39-52)47-16-8-3-9-17-47/h1-39H
InChIKeyZAVQGNRKBYPIRN-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

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

N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine (PubChem CID 177080967) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
PubChem CID177080967
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c5ccc6ccc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-12-40(13-5-1)41-20-22-42(23-21-41)43-24-26-44(27-25-43)45-30-33-50(34-31-45)57(51-35-32-49-29-28-48-18-10-11-19-53(48)56(49)38-51)52-36-37-54(46-14-6-2-7-15-46)55(39-52)47-16-8-3-9-17-47/h1-39H
InChIKeyZAVQGNRKBYPIRN-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-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
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-(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
4-(N-phenanthren-3-yl-4-phenylanilino)-2-phenylbenzenethiol
CID 138748381
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
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine
CID 176821326
3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine (CID 177080967) is N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c5ccc6ccc7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
The InChIKey is ZAVQGNRKBYPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-4-12-40(13-5-1)41-20-22-42(23-21-41)43-24-26-44(27-25-43)45-30-33-50(34-31-45)57(51-35-32-49-29-28-48-18-10-11-19-53(48)56(49)38-51)52-36-37-54(46-14-6-2-7-15-46)55(39-52)47-16-8-3-9-17-47/h1-39H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine?
N-(3,4-diphenylphenyl)-N-[4-[4-(4-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-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine is sourced from PubChem (CID 177080967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).