4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole

C35H31N — CID 159484807

IUPAC4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4ccccc4)ccc2n3-c2ccccc2)c1[2H]
InChIInChI=1S/C35H31N/c1-24-13-11-16-26(23-24)28-19-12-20-30-32(28)33-31(36(30)27-17-9-6-10-18-27)22-21-29(34(33)35(2,3)4)25-14-7-5-8-15-25/h5-23H,1-4H3/i11D,13D,16D,23D
InChIKeyLLESLJHCWBXTPC-SGFATKOJSA-N
MW469.66 g/mol
LogP9.72
Rot. Bonds3

About 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole

4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (PubChem CID 159484807) has the molecular formula C35H31N and a molecular weight of 469.66 g/mol. Its IUPAC name is 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.

Molecular Properties

Compound Name4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
PubChem CID159484807
Molecular FormulaC35H31N
Molecular Weight469.66 g/mol
Exact Mass469.27
IUPAC Name4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4ccccc4)ccc2n3-c2ccccc2)c1[2H]
InChIInChI=1S/C35H31N/c1-24-13-11-16-26(23-24)28-19-12-20-30-32(28)33-31(36(30)27-17-9-6-10-18-27)22-21-29(34(33)35(2,3)4)25-14-7-5-8-15-25/h5-23H,1-4H3/i11D,13D,16D,23D
InChIKeyLLESLJHCWBXTPC-SGFATKOJSA-N
XLogP9.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.66
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 158942871
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159479445
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole;4-tert-butyl-3-carbazol-9-yl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5,9-diphenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-9-phenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164994587
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole
CID 164845414
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164928466
1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole
CID 165024093
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane
CID 158466026
4-tert-butyl-3-(3,6-ditert-butyl-9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 166564237

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?
The IUPAC name of 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (CID 159484807) is 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.
What is the SMILES notation for 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?
The canonical SMILES for 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is [2H]c1c([2H])c(C)c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4ccccc4)ccc2n3-c2ccccc2)c1[2H].
What is the InChIKey of 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?
The InChIKey is LLESLJHCWBXTPC-SGFATKOJSA-N. The full InChI is InChI=1S/C35H31N/c1-24-13-11-16-26(23-24)28-19-12-20-30-32(28)33-31(36(30)27-17-9-6-10-18-27)22-21-29(34(33)35(2,3)4)25-14-7-5-8-15-25/h5-23H,1-4H3/i11D,13D,16D,23D.
What are the key properties of 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?
4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole has a molecular weight of 469.66 g/mol, XLogP of 9.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is sourced from PubChem (CID 159484807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).