N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C56H39N — CID 169062413

IUPACN-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)c6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-5-17-40(18-6-1)41-29-34-47(35-30-41)57(54-28-16-15-25-49(54)43-19-7-2-8-20-43)48-36-31-42(32-37-48)46-33-38-52-53(39-46)50-26-13-14-27-51(50)55(44-21-9-3-10-22-44)56(52)45-23-11-4-12-24-45/h1-39H
InChIKeyWQPMQWQXQILVGH-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 169062413) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID169062413
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)c6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-5-17-40(18-6-1)41-29-34-47(35-30-41)57(54-28-16-15-25-49(54)43-19-7-2-8-20-43)48-36-31-42(32-37-48)46-33-38-52-53(39-46)50-26-13-14-27-51(50)55(44-21-9-3-10-22-44)56(52)45-23-11-4-12-24-45/h1-39H
InChIKeyWQPMQWQXQILVGH-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

2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
CID 169063647
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 169063064
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169062698
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-2,4-diphenyl-N-(2-phenylphenyl)aniline
CID 169065535
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 169062413) is N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)c6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WQPMQWQXQILVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-5-17-40(18-6-1)41-29-34-47(35-30-41)57(54-28-16-15-25-49(54)43-19-7-2-8-20-43)48-36-31-42(32-37-48)46-33-38-52-53(39-46)50-26-13-14-27-51(50)55(44-21-9-3-10-22-44)56(52)45-23-11-4-12-24-45/h1-39H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)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 N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 169062413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).