2-deuterio-4-(9-phenylcarbazol-3-yl)aniline

C24H18N2 — CID 175956586

IUPAC2-deuterio-4-(9-phenylcarbazol-3-yl)aniline
SMILES[2H]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1N
InChIInChI=1S/C24H18N2/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20/h1-16H,25H2/i13D
InChIKeyPDOQLUHQQRDCES-YSOHJTORSA-N
MW335.43 g/mol
LogP6.03
Rot. Bonds2

About 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline

2-deuterio-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 175956586) has the molecular formula C24H18N2 and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound Name2-deuterio-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID175956586
Molecular FormulaC24H18N2
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Name2-deuterio-4-(9-phenylcarbazol-3-yl)aniline
SMILES[2H]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1N
InChIInChI=1S/C24H18N2/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20/h1-16H,25H2/i13D
InChIKeyPDOQLUHQQRDCES-YSOHJTORSA-N
XLogP6.03
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline (CID 175956586) is 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline is [2H]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1N.
What is the InChIKey of 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is PDOQLUHQQRDCES-YSOHJTORSA-N. The full InChI is InChI=1S/C24H18N2/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20/h1-16H,25H2/i13D.
What are the key properties of 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline?
2-deuterio-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 335.43 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 175956586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).