N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline

C60H41N — CID 170141496

IUPACN-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H41N/c1-3-14-42(15-4-1)44-26-30-48(31-27-44)54-22-11-12-25-60(54)61(52-20-13-19-50(40-52)43-16-5-2-6-17-43)51-37-34-46(35-38-51)45-28-32-49(33-29-45)58-41-59-53-21-8-7-18-47(53)36-39-57(59)55-23-9-10-24-56(55)58/h1-41H
InChIKeyMDUIUDAFFASZPQ-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline

N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 170141496) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID170141496
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H41N/c1-3-14-42(15-4-1)44-26-30-48(31-27-44)54-22-11-12-25-60(54)61(52-20-13-19-50(40-52)43-16-5-2-6-17-43)51-37-34-46(35-38-51)45-28-32-49(33-29-45)58-41-59-53-21-8-7-18-47(53)36-39-57(59)55-23-9-10-24-56(55)58/h1-41H
InChIKeyMDUIUDAFFASZPQ-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.95
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-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163563772
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170141997

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (CID 170141496) is N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is MDUIUDAFFASZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-3-14-42(15-4-1)44-26-30-48(31-27-44)54-22-11-12-25-60(54)61(52-20-13-19-50(40-52)43-16-5-2-6-17-43)51-37-34-46(35-38-51)45-28-32-49(33-29-45)58-41-59-53-21-8-7-18-47(53)36-39-57(59)55-23-9-10-24-56(55)58/h1-41H.
What are the key properties of N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 170141496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).