4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole

C31H23N — CID 164845414

IUPAC4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C)c(-c4ccccc4)ccc2n3-c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C31H23N/c1-22-26(23-12-5-2-6-13-23)20-21-29-30(22)31-27(24-14-7-3-8-15-24)18-11-19-28(31)32(29)25-16-9-4-10-17-25/h2-21H,1H3/i3D,7D,8D,14D,15D
InChIKeyFECCHSRXYULJHY-TYEFCWAHSA-N
MW414.56 g/mol
LogP8.43
Rot. Bonds3

About 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole

4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole (PubChem CID 164845414) has the molecular formula C31H23N and a molecular weight of 414.56 g/mol. Its IUPAC name is 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole.

Molecular Properties

Compound Name4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole
PubChem CID164845414
Molecular FormulaC31H23N
Molecular Weight414.56 g/mol
Exact Mass414.21
IUPAC Name4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C)c(-c4ccccc4)ccc2n3-c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C31H23N/c1-22-26(23-12-5-2-6-13-23)20-21-29-30(22)31-27(24-14-7-3-8-15-24)18-11-19-28(31)32(29)25-16-9-4-10-17-25/h2-21H,1H3/i3D,7D,8D,14D,15D
InChIKeyFECCHSRXYULJHY-TYEFCWAHSA-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 ≤ 500414.56
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159484807
4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164928466
9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
CID 171458755
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazole
CID 171458260
4-tert-butyl-3-(3,6-ditert-butyl-9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 166564237
1,2,3,4,5,7,8-heptadeuterio-6-[5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 169011944
3-[4-[12-(2,3,4,5,6-pentadeuteriophenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]phenyl]-9-phenylcarbazole
CID 177127166
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 177077367
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159330147
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole?
The IUPAC name of 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole (CID 164845414) is 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole.
What is the SMILES notation for 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole?
The canonical SMILES for 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C)c(-c4ccccc4)ccc2n3-c2ccccc2)c([2H])c1[2H].
What is the InChIKey of 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole?
The InChIKey is FECCHSRXYULJHY-TYEFCWAHSA-N. The full InChI is InChI=1S/C31H23N/c1-22-26(23-12-5-2-6-13-23)20-21-29-30(22)31-27(24-14-7-3-8-15-24)18-11-19-28(31)32(29)25-16-9-4-10-17-25/h2-21H,1H3/i3D,7D,8D,14D,15D.
What are the key properties of 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole?
4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole has a molecular weight of 414.56 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 4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole is sourced from PubChem (CID 164845414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).