N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline

C32H22N4 — CID 170530735

IUPACN,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2nnc3c4ccccc4c4ccccc4n23)cc1
InChIInChI=1S/C32H22N4/c1-3-13-23(14-4-1)35(24-15-5-2-6-16-24)30-22-12-10-20-28(30)32-34-33-31-27-19-8-7-17-25(27)26-18-9-11-21-29(26)36(31)32/h1-22H
InChIKeyYMCWIRMZDYQRMU-UHFFFAOYSA-N
MW462.56 g/mol
LogP8.17
Rot. Bonds4

About N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline

N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline (PubChem CID 170530735) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline
PubChem CID170530735
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC NameN,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2nnc3c4ccccc4c4ccccc4n23)cc1
InChIInChI=1S/C32H22N4/c1-3-13-23(14-4-1)35(24-15-5-2-6-16-24)30-22-12-10-20-28(30)32-34-33-31-27-19-8-7-17-25(27)26-18-9-11-21-29(26)36(31)32/h1-22H
InChIKeyYMCWIRMZDYQRMU-UHFFFAOYSA-N
XLogP8.17
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-carbazol-9-yl-N,N-diphenylaniline
CID 66650204
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
CID 170530692
3-(3-dibenzothiophen-4-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;methane
CID 157421911
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
2-(23-ethyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-N,N-diphenylaniline
CID 89417755
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
9-methyl-N,N-diphenylcarbazol-1-amine
CID 126631131
N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502247
N,N-diphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8(13),9,11,14(36),15,17,20,22,25,27,29,31(35),32-heptadecaen-9-amine
CID 169056077

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline?
The IUPAC name of N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline (CID 170530735) is N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline.
What is the SMILES notation for N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline?
The canonical SMILES for N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline is c1ccc(N(c2ccccc2)c2ccccc2-c2nnc3c4ccccc4c4ccccc4n23)cc1.
What is the InChIKey of N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline?
The InChIKey is YMCWIRMZDYQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-3-13-23(14-4-1)35(24-15-5-2-6-16-24)30-22-12-10-20-28(30)32-34-33-31-27-19-8-7-17-25(27)26-18-9-11-21-29(26)36(31)32/h1-22H.
What are the key properties of N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline?
N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline has a molecular weight of 462.56 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline is sourced from PubChem (CID 170530735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).