1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole

C36H24N2 — CID 170517578

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
SMILES[2H]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cc43)cc2)cc1
InChIInChI=1S/C36H24N2/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-33-15-7-6-14-31(33)32-23-22-28(24-36(32)37)38-34-16-8-4-12-29(34)30-13-5-9-17-35(30)38/h1-24H/i1D,4D,5D,8D,9D,12D,13D,16D,17D
InChIKeyGAYQRZHJNOFSBN-VCVKGWETSA-N
MW493.66 g/mol
LogP9.55
Rot. Bonds3

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

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole (PubChem CID 170517578) has the molecular formula C36H24N2 and a molecular weight of 493.66 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
PubChem CID170517578
Molecular FormulaC36H24N2
Molecular Weight493.66 g/mol
Exact Mass493.25
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
SMILES[2H]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cc43)cc2)cc1
InChIInChI=1S/C36H24N2/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-33-15-7-6-14-31(33)32-23-22-28(24-36(32)37)38-34-16-8-4-12-29(34)30-13-5-9-17-35(30)38/h1-24H/i1D,4D,5D,8D,9D,12D,13D,16D,17D
InChIKeyGAYQRZHJNOFSBN-VCVKGWETSA-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 ≤ 500493.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517406
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 176640480
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
4,5,6,7,11,12,16,17,18-nonadeuterio-14-[4-(4-deuteriophenyl)phenyl]-9-triphenylen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170543966
9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 176640489
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167377908
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
[9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane
CID 176784894
[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane
CID 162500251

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole (CID 170517578) is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole is [2H]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cc43)cc2)cc1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole?
The InChIKey is GAYQRZHJNOFSBN-VCVKGWETSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-33-15-7-6-14-31(33)32-23-22-28(24-36(32)37)38-34-16-8-4-12-29(34)30-13-5-9-17-35(30)38/h1-24H/i1D,4D,5D,8D,9D,12D,13D,16D,17D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole has a molecular weight of 493.66 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 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170517578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).