N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine

C66H45N — CID 177080203

IUPACN-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cc(-c5cc6ccccc6c6ccccc56)c5ccccc5c4)c4ccccc4-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C66H45N/c1-4-19-46(20-5-1)50-27-18-28-51(41-50)48-35-38-55(39-36-48)67(66-34-17-16-33-62(66)61-40-37-52(47-21-6-2-7-22-47)43-63(61)49-23-8-3-9-24-49)56-42-53-25-10-13-30-58(53)65(45-56)64-44-54-26-11-12-29-57(54)59-31-14-15-32-60(59)64/h1-45H
InChIKeyXPJFIPSPYCOYBE-UHFFFAOYSA-N
MW852.09 g/mol
LogP18.62
Rot. Bonds9

About N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine

N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 177080203) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID177080203
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC NameN-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cc(-c5cc6ccccc6c6ccccc56)c5ccccc5c4)c4ccccc4-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C66H45N/c1-4-19-46(20-5-1)50-27-18-28-51(41-50)48-35-38-55(39-36-48)67(66-34-17-16-33-62(66)61-40-37-52(47-21-6-2-7-22-47)43-63(61)49-23-8-3-9-24-49)56-42-53-25-10-13-30-58(53)65(45-56)64-44-54-26-11-12-29-57(54)59-31-14-15-32-60(59)64/h1-45H
InChIKeyXPJFIPSPYCOYBE-UHFFFAOYSA-N
XLogP18.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 518.62
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

N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N-(4-phenylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477390
N-(3,4-diphenylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]naphthalen-1-amine
CID 164832008
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (CID 177080203) is N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2cccc(-c3ccc(N(c4cc(-c5cc6ccccc6c6ccccc56)c5ccccc5c4)c4ccccc4-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is XPJFIPSPYCOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-4-19-46(20-5-1)50-27-18-28-51(41-50)48-35-38-55(39-36-48)67(66-34-17-16-33-62(66)61-40-37-52(47-21-6-2-7-22-47)43-63(61)49-23-8-3-9-24-49)56-42-53-25-10-13-30-58(53)65(45-56)64-44-54-26-11-12-29-57(54)59-31-14-15-32-60(59)64/h1-45H.
What are the key properties of N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 852.09 g/mol, XLogP of 18.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 177080203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).