9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole

C31H23N — CID 172524272

IUPAC9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc2n3-c2cccc(C)c2)c([2H])c1[2H]
InChIInChI=1S/C31H23N/c1-22-9-8-14-27(19-22)32-30-17-15-25(23-10-4-2-5-11-23)20-28(30)29-21-26(16-18-31(29)32)24-12-6-3-7-13-24/h2-21H,1H3/i2D,3D,4D,5D,6D,7D,10D,11D,12D,13D
InChIKeyROBNBJIEPREPPK-YJFXVUAJSA-N
MW419.59 g/mol
LogP8.43
Rot. Bonds3

About 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole

9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 172524272) has the molecular formula C31H23N and a molecular weight of 419.59 g/mol. Its IUPAC name is 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID172524272
Molecular FormulaC31H23N
Molecular Weight419.59 g/mol
Exact Mass419.25
IUPAC Name9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc2n3-c2cccc(C)c2)c([2H])c1[2H]
InChIInChI=1S/C31H23N/c1-22-9-8-14-27(19-22)32-30-17-15-25(23-10-4-2-5-11-23)20-28(30)29-21-26(16-18-31(29)32)24-12-6-3-7-13-24/h2-21H,1H3/i2D,3D,4D,5D,6D,7D,10D,11D,12D,13D
InChIKeyROBNBJIEPREPPK-YJFXVUAJSA-N
XLogP8.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172524297
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 162480019
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
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
9-(3-methylphenyl)-14-[3-(4-phenylphenyl)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 126501118
1,2,3,4-tetradeuterio-9-[9-[3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517744
9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 168748887
ethane;9-(3-methylphenyl)carbazole
CID 143904684

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 172524272) is 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc2n3-c2cccc(C)c2)c([2H])c1[2H].
What is the InChIKey of 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is ROBNBJIEPREPPK-YJFXVUAJSA-N. The full InChI is InChI=1S/C31H23N/c1-22-9-8-14-27(19-22)32-30-17-15-25(23-10-4-2-5-11-23)20-28(30)29-21-26(16-18-31(29)32)24-12-6-3-7-13-24/h2-21H,1H3/i2D,3D,4D,5D,6D,7D,10D,11D,12D,13D.
What are the key properties of 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 419.59 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 172524272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).