9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole

C36H24N2 — CID 171458755

IUPAC9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-3-12-25(13-4-1)28-18-11-21-35-36(28)30-17-8-10-20-33(30)38(35)27-22-23-34-31(24-27)29-16-7-9-19-32(29)37(34)26-14-5-2-6-15-26/h1-24H/i2D,5D,6D,14D,15D
InChIKeyOQECQUPZHKWFTB-HZYQAWBHSA-N
MW489.63 g/mol
LogP9.55
Rot. Bonds3

About 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole

9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole (PubChem CID 171458755) has the molecular formula C36H24N2 and a molecular weight of 489.63 g/mol. Its IUPAC name is 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
PubChem CID171458755
Molecular FormulaC36H24N2
Molecular Weight489.63 g/mol
Exact Mass489.23
IUPAC Name9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-3-12-25(13-4-1)28-18-11-21-35-36(28)30-17-8-10-20-33(30)38(35)27-22-23-34-31(24-27)29-16-7-9-19-32(29)37(34)26-14-5-2-6-15-26/h1-24H/i2D,5D,6D,14D,15D
InChIKeyOQECQUPZHKWFTB-HZYQAWBHSA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.63
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole 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

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazole
CID 171458260
3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164756668
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 171458093
[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 164756610
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole
CID 171458084
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
CID 164756562
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole?
The IUPAC name of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole (CID 171458755) is 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)ccc32)c([2H])c1[2H].
What is the InChIKey of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole?
The InChIKey is OQECQUPZHKWFTB-HZYQAWBHSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-12-25(13-4-1)28-18-11-21-35-36(28)30-17-8-10-20-33(30)38(35)27-22-23-34-31(24-27)29-16-7-9-19-32(29)37(34)26-14-5-2-6-15-26/h1-24H/i2D,5D,6D,14D,15D.
What are the key properties of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole?
9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole has a molecular weight of 489.63 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole is sourced from PubChem (CID 171458755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).