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

C36H24N2 — CID 170517472

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
SMILES[2H]c1ccc(-c2cccc(-n3c4ccccc4c4c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cccc43)c2)cc1
InChIInChI=1S/C36H24N2/c1-2-12-25(13-3-1)26-14-10-15-27(24-26)37-33-21-9-6-18-30(33)36-34(37)22-11-23-35(36)38-31-19-7-4-16-28(31)29-17-5-8-20-32(29)38/h1-24H/i1D,4D,5D,7D,8D,16D,17D,19D,20D
InChIKeyVNPSFRAXCXHOLC-RWRQGMTISA-N
MW493.66 g/mol
LogP9.55
Rot. Bonds3

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

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole (PubChem CID 170517472) 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-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
PubChem CID170517472
Molecular FormulaC36H24N2
Molecular Weight493.66 g/mol
Exact Mass493.25
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
SMILES[2H]c1ccc(-c2cccc(-n3c4ccccc4c4c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cccc43)c2)cc1
InChIInChI=1S/C36H24N2/c1-2-12-25(13-3-1)26-14-10-15-27(24-26)37-33-21-9-6-18-30(33)36-34(37)22-11-23-35(36)38-31-19-7-4-16-28(31)29-17-5-8-20-32(29)38/h1-24H/i1D,4D,5D,7D,8D,16D,17D,19D,20D
InChIKeyVNPSFRAXCXHOLC-RWRQGMTISA-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-[3-(4-deuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517476
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(6-deuterio-9-phenylcarbazol-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 167377811
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
1,2,3,4-tetradeuterio-9-[9-[3-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517583
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-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole (CID 170517472) is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole is [2H]c1ccc(-c2cccc(-n3c4ccccc4c4c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cccc43)c2)cc1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole?
The InChIKey is VNPSFRAXCXHOLC-RWRQGMTISA-N. The full InChI is InChI=1S/C36H24N2/c1-2-12-25(13-3-1)26-14-10-15-27(24-26)37-33-21-9-6-18-30(33)36-34(37)22-11-23-35(36)38-31-19-7-4-16-28(31)29-17-5-8-20-32(29)38/h1-24H/i1D,4D,5D,7D,8D,16D,17D,19D,20D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-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-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole is sourced from PubChem (CID 170517472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).