N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine

C56H37N — CID 170141651

IUPACN-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
SMILESc1ccc(-c2cc(-c3ccc4ccc5c6ccccc6ccc5c4c3)ccc2-c2ccccc2N(c2ccccc2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C56H37N/c1-3-13-38(14-4-1)53-36-44(43-26-25-42-29-32-49-47-19-9-7-16-40(47)28-33-50(49)54(42)35-43)30-34-51(53)52-21-11-12-22-56(52)57(45-17-5-2-6-18-45)46-31-27-41-24-23-39-15-8-10-20-48(39)55(41)37-46/h1-37H
InChIKeyUBYIYNDWKGNITE-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine

N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine (PubChem CID 170141651) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine.

Molecular Properties

Compound NameN-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
PubChem CID170141651
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
SMILESc1ccc(-c2cc(-c3ccc4ccc5c6ccccc6ccc5c4c3)ccc2-c2ccccc2N(c2ccccc2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C56H37N/c1-3-13-38(14-4-1)53-36-44(43-26-25-42-29-32-49-47-19-9-7-16-40(47)28-33-50(49)54(42)35-43)30-34-51(53)52-21-11-12-22-56(52)57(45-17-5-2-6-18-45)46-31-27-41-24-23-39-15-8-10-20-48(39)55(41)37-46/h1-37H
InChIKeyUBYIYNDWKGNITE-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
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

4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080996
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
CID 177080942
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
2-chrysen-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 170141194
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine?
The IUPAC name of N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine (CID 170141651) is N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine.
What is the SMILES notation for N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine?
The canonical SMILES for N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine is c1ccc(-c2cc(-c3ccc4ccc5c6ccccc6ccc5c4c3)ccc2-c2ccccc2N(c2ccccc2)c2ccc3ccc4ccccc4c3c2)cc1.
What is the InChIKey of N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine?
The InChIKey is UBYIYNDWKGNITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-3-13-38(14-4-1)53-36-44(43-26-25-42-29-32-49-47-19-9-7-16-40(47)28-33-50(49)54(42)35-43)30-34-51(53)52-21-11-12-22-56(52)57(45-17-5-2-6-18-45)46-31-27-41-24-23-39-15-8-10-20-48(39)55(41)37-46/h1-37H.
What are the key properties of N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine?
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine is sourced from PubChem (CID 170141651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).