1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole

C31H22N2O2S — CID 168762681

IUPAC1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cccc2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C31H22N2O2S/c1-21-17-19-22(20-18-21)36(34,35)33-28-14-7-4-11-25(28)31-29(15-8-16-30(31)33)32-26-12-5-2-9-23(26)24-10-3-6-13-27(24)32/h2-20H,1H3/i2D,5D,9D,12D
InChIKeyJYSUVVPKNPNZQW-JQNNDFAZSA-N
MW490.62 g/mol
LogP7.44
Rot. Bonds3

About 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole

1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole (PubChem CID 168762681) has the molecular formula C31H22N2O2S and a molecular weight of 490.62 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole
PubChem CID168762681
Molecular FormulaC31H22N2O2S
Molecular Weight490.62 g/mol
Exact Mass490.17
IUPAC Name1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cccc2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C31H22N2O2S/c1-21-17-19-22(20-18-21)36(34,35)33-28-14-7-4-11-25(28)31-29(15-8-16-30(31)33)32-26-12-5-2-9-23(26)24-10-3-6-13-27(24)32/h2-20H,1H3/i2D,5D,9D,12D
InChIKeyJYSUVVPKNPNZQW-JQNNDFAZSA-N
XLogP7.44
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
CID 170517472
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517522
9-(benzenesulfonyl)carbazole-4-carbaldehyde
CID 14594814
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578315
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
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
4,5,6,7-tetradeuterio-14-phenyl-9-[2-(9-phenylcarbazol-3-yl)phenyl]-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 176824390

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole (CID 168762681) is 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cccc2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole?
The InChIKey is JYSUVVPKNPNZQW-JQNNDFAZSA-N. The full InChI is InChI=1S/C31H22N2O2S/c1-21-17-19-22(20-18-21)36(34,35)33-28-14-7-4-11-25(28)31-29(15-8-16-30(31)33)32-26-12-5-2-9-23(26)24-10-3-6-13-27(24)32/h2-20H,1H3/i2D,5D,9D,12D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole?
1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole has a molecular weight of 490.62 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-9-[9-(4-methylphenyl)sulfonylcarbazol-4-yl]carbazole is sourced from PubChem (CID 168762681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).