2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C56H39N — CID 155304911

IUPAC2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5c(-c6ccccc6)c6ccccc6c6ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-36-47(37-33-43)57(54-27-15-14-22-49(54)44-18-6-2-7-19-44)48-38-34-46(35-39-48)56-53-26-13-11-24-51(53)50-23-10-12-25-52(50)55(56)45-20-8-3-9-21-45/h1-39H
InChIKeyBPWDYBNYSOBFMF-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 155304911) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID155304911
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC Name2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5c(-c6ccccc6)c6ccccc6c6ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-36-47(37-33-43)57(54-27-15-14-22-49(54)44-18-6-2-7-19-44)48-38-34-46(35-39-48)56-53-26-13-11-24-51(53)50-23-10-12-25-52(50)55(56)45-20-8-3-9-21-45/h1-39H
InChIKeyBPWDYBNYSOBFMF-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-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
CID 169063647
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155303754
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169062698
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169064818
N-[4-(3,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169063236
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-4-amine
CID 169065488

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 155304911) is 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5c(-c6ccccc6)c6ccccc6c6ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is BPWDYBNYSOBFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-36-47(37-33-43)57(54-27-15-14-22-49(54)44-18-6-2-7-19-44)48-38-34-46(35-39-48)56-53-26-13-11-24-51(53)50-23-10-12-25-52(50)55(56)45-20-8-3-9-21-45/h1-39H.
What are the key properties of 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline 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 2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155304911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).