N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

C56H39N — CID 156578695

IUPACN-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-14-40(15-5-1)43-28-33-49(34-29-43)57(56-39-48-20-10-11-21-51(48)53-22-12-13-23-54(53)56)50-35-30-44(31-36-50)42-24-26-46(27-25-42)55-38-47(41-16-6-2-7-17-41)32-37-52(55)45-18-8-3-9-19-45/h1-39H
InChIKeyDVFSREZFOZIJLV-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 156578695) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID156578695
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-14-40(15-5-1)43-28-33-49(34-29-43)57(56-39-48-20-10-11-21-51(48)53-22-12-13-23-54(53)56)50-35-30-44(31-36-50)42-24-26-46(27-25-42)55-38-47(41-16-6-2-7-17-41)32-37-52(55)45-18-8-3-9-19-45/h1-39H
InChIKeyDVFSREZFOZIJLV-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-phenylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477390
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477659
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142730125
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 167003351
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
N-(3,5-diphenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 177079916
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 170400134

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (CID 156578695) is N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is DVFSREZFOZIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-4-14-40(15-5-1)43-28-33-49(34-29-43)57(56-39-48-20-10-11-21-51(48)53-22-12-13-23-54(53)56)50-35-30-44(31-36-50)42-24-26-46(27-25-42)55-38-47(41-16-6-2-7-17-41)32-37-52(55)45-18-8-3-9-19-45/h1-39H.
What are the key properties of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-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-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 156578695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).