N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline

C43H30N2 — CID 118003274

IUPACN-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccc6cccnc6c45)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C43H30N2/c1-3-12-31(13-4-1)32-25-27-37(28-26-32)45(41-22-8-7-20-39(41)33-14-5-2-6-15-33)38-19-9-17-36(30-38)40-21-10-16-34-23-24-35-18-11-29-44-43(35)42(34)40/h1-30H
InChIKeyUWPMCNKADUWNDQ-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.86
Rot. Bonds6

About N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline

N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118003274) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118003274
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC NameN-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccc6cccnc6c45)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C43H30N2/c1-3-12-31(13-4-1)32-25-27-37(28-26-32)45(41-22-8-7-20-39(41)33-14-5-2-6-15-33)38-19-9-17-36(30-38)40-21-10-16-34-23-24-35-18-11-29-44-43(35)42(34)40/h1-30H
InChIKeyUWPMCNKADUWNDQ-UHFFFAOYSA-N
XLogP11.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[h]quinolin-10-amine
CID 118003349
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683
N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine
CID 166041816
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline
CID 139496205

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline (CID 118003274) is N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccc6cccnc6c45)c3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is UWPMCNKADUWNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-3-12-31(13-4-1)32-25-27-37(28-26-32)45(41-22-8-7-20-39(41)33-14-5-2-6-15-33)38-19-9-17-36(30-38)40-21-10-16-34-23-24-35-18-11-29-44-43(35)42(34)40/h1-30H.
What are the key properties of N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline?
N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 574.73 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118003274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).