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

C58H39N — CID 167297488

IUPACN-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C58H39N/c1-3-13-40(14-4-1)45-29-35-53(41-15-5-2-6-16-41)57(38-45)43-25-30-48(31-26-43)59(50-34-36-54-47(37-50)24-23-42-17-7-9-19-51(42)54)49-32-27-44(28-33-49)58-39-46-18-8-10-20-52(46)55-21-11-12-22-56(55)58/h1-39H
InChIKeyYWBUTJGFKUYIAS-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

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

N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine (PubChem CID 167297488) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine
PubChem CID167297488
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C58H39N/c1-3-13-40(14-4-1)45-29-35-53(41-15-5-2-6-16-41)57(38-45)43-25-30-48(31-26-43)59(50-34-36-54-47(37-50)24-23-42-17-7-9-19-51(42)54)49-32-27-44(28-33-49)58-39-46-18-8-10-20-52(46)55-21-11-12-22-56(55)58/h1-39H
InChIKeyYWBUTJGFKUYIAS-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
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-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685
3-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 164832159
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
4-benzo[c]phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
CID 167184316
3-benzo[c]phenanthren-6-yl-N-(4-phenanthren-9-ylphenyl)-4-phenyl-N-(3-phenylphenyl)aniline
CID 167182365

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine (CID 167297488) is N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine?
The InChIKey is YWBUTJGFKUYIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-3-13-40(14-4-1)45-29-35-53(41-15-5-2-6-16-41)57(38-45)43-25-30-48(31-26-43)59(50-34-36-54-47(37-50)24-23-42-17-7-9-19-51(42)54)49-32-27-44(28-33-49)58-39-46-18-8-10-20-52(46)55-21-11-12-22-56(55)58/h1-39H.
What are the key properties of N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine?
N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167297488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).