N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine

C33H23N2- — CID 101387423

IUPACN,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine
SMILES[c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C33H23N2/c1-4-12-25(13-5-1)31-24-33(34-32-19-11-10-18-30(31)32)26-20-22-29(23-21-26)35(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-20,22-24H/q-1
InChIKeyZZUYZCXVGJFXSJ-UHFFFAOYSA-N
MW447.56 g/mol
LogP8.84
Rot. Bonds5

About N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine

N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine (PubChem CID 101387423) has the molecular formula C33H23N2- and a molecular weight of 447.56 g/mol. Its IUPAC name is N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine
PubChem CID101387423
Molecular FormulaC33H23N2-
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC NameN,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine
SMILES[c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C33H23N2/c1-4-12-25(13-5-1)31-24-33(34-32-19-11-10-18-30(31)32)26-20-22-29(23-21-26)35(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-20,22-24H/q-1
InChIKeyZZUYZCXVGJFXSJ-UHFFFAOYSA-N
XLogP8.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline
CID 171055301
2,4-diphenyl-N,N-bis(4-phenylphenyl)quinolin-6-amine
CID 142713547
N,N,4-triphenylnaphthalen-2-amine
CID 138623110
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
CID 59702515
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
CID 15099821
4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline
CID 58161407
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine?
The IUPAC name of N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine (CID 101387423) is N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine.
What is the SMILES notation for N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine?
The canonical SMILES for N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine is [c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine?
The InChIKey is ZZUYZCXVGJFXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N2/c1-4-12-25(13-5-1)31-24-33(34-32-19-11-10-18-30(31)32)26-20-22-29(23-21-26)35(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-20,22-24H/q-1.
What are the key properties of N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine?
N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine has a molecular weight of 447.56 g/mol, XLogP of 8.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine is sourced from PubChem (CID 101387423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).