3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole

C36H24N2 — CID 170517422

IUPAC3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole
SMILES[2H]c1cc([2H])c(-c2ccc([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6ccccc6c6ccccc65)c([2H])c([2H])c43)c2)c([2H])c1
InChIInChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-24H/i1D,6D,9D,11D,12D,14D,17D,20D,21D,22D,24D
InChIKeyPPQRPUFUVGSKPQ-NYFVJKKHSA-N
MW495.67 g/mol
LogP9.55
Rot. Bonds3

About 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole

3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole (PubChem CID 170517422) has the molecular formula C36H24N2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole
PubChem CID170517422
Molecular FormulaC36H24N2
Molecular Weight495.67 g/mol
Exact Mass495.26
IUPAC Name3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole
SMILES[2H]c1cc([2H])c(-c2ccc([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6ccccc6c6ccccc65)c([2H])c([2H])c43)c2)c([2H])c1
InChIInChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-24H/i1D,6D,9D,11D,12D,14D,17D,20D,21D,22D,24D
InChIKeyPPQRPUFUVGSKPQ-NYFVJKKHSA-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 ≤ 500495.67
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 170517671
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,5,6-tetradeuteriophenyl)phenyl]phenyl]carbazole
CID 170517647
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-(2,6-dideuteriophenyl)phenyl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 170517742
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole
CID 170517752
1,2,3,4-tetradeuterio-9-[9-[3-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517583
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170518251
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]carbazole
CID 164788576
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[2-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 177115671
1,2,3,4,5,7,8-heptadeuterio-9-(4-deuteriophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 172512017
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]carbazole
CID 170518263
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole (CID 170517422) is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole is [2H]c1cc([2H])c(-c2ccc([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6ccccc6c6ccccc65)c([2H])c([2H])c43)c2)c([2H])c1.
What is the InChIKey of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole?
The InChIKey is PPQRPUFUVGSKPQ-NYFVJKKHSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-24H/i1D,6D,9D,11D,12D,14D,17D,20D,21D,22D,24D.
What are the key properties of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole?
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole has a molecular weight of 495.67 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 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 170517422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).