N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline

C56H39N — CID 167003698

IUPACN-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)c(-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-14-40(15-5-1)41-24-26-42(27-25-41)43-28-33-49(34-29-43)57(48-19-8-3-9-20-48)50-35-30-44(31-36-50)46-32-37-54(55(38-46)45-16-6-2-7-17-45)56-39-47-18-10-11-21-51(47)52-22-12-13-23-53(52)56/h1-39H
InChIKeyDFOYHGRTUYPKHU-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline

N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline (PubChem CID 167003698) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
PubChem CID167003698
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)c(-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-14-40(15-5-1)41-24-26-42(27-25-41)43-28-33-49(34-29-43)57(48-19-8-3-9-20-48)50-35-30-44(31-36-50)46-32-37-54(55(38-46)45-16-6-2-7-17-45)56-39-47-18-10-11-21-51(47)52-22-12-13-23-53(52)56/h1-39H
InChIKeyDFOYHGRTUYPKHU-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

3-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 164832159
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845
N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine
CID 167297488
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
N-[2-(2,4-diphenylphenyl)phenyl]-4-phenanthren-9-yl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 177080203

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline (CID 167003698) is N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)c(-c6ccccc6)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The InChIKey is DFOYHGRTUYPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-4-14-40(15-5-1)41-24-26-42(27-25-41)43-28-33-49(34-29-43)57(48-19-8-3-9-20-48)50-35-30-44(31-36-50)46-32-37-54(55(38-46)45-16-6-2-7-17-45)56-39-47-18-10-11-21-51(47)52-22-12-13-23-53(52)56/h1-39H.
What are the key properties of N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(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-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 167003698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).