4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole

C42H45N — CID 146578604

IUPAC4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
SMILESCC(C)(C)c1cc(-n2c3cccc(-c4ccccc4)c3c3c(C(C)(C)C)c(-c4ccccc4)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C42H45N/c1-40(2,3)30-25-31(41(4,5)6)27-32(26-30)43-35-22-16-21-33(28-17-12-10-13-18-28)37(35)38-36(43)24-23-34(39(38)42(7,8)9)29-19-14-11-15-20-29/h10-27H,1-9H3
InChIKeyUKWVJBQYVITIBY-UHFFFAOYSA-N
MW563.83 g/mol
LogP12.01
Rot. Bonds3

About 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole

4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole (PubChem CID 146578604) has the molecular formula C42H45N and a molecular weight of 563.83 g/mol. Its IUPAC name is 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
PubChem CID146578604
Molecular FormulaC42H45N
Molecular Weight563.83 g/mol
Exact Mass563.36
IUPAC Name4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
SMILESCC(C)(C)c1cc(-n2c3cccc(-c4ccccc4)c3c3c(C(C)(C)C)c(-c4ccccc4)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C42H45N/c1-40(2,3)30-25-31(41(4,5)6)27-32(26-30)43-35-22-16-21-33(28-17-12-10-13-18-28)37(35)38-36(43)24-23-34(39(38)42(7,8)9)29-19-14-11-15-20-29/h10-27H,1-9H3
InChIKeyUKWVJBQYVITIBY-UHFFFAOYSA-N
XLogP12.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.83
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 146579007
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-tert-butyl-5-[3-tert-butyl-5-[1-[4-[4-tert-butyl-5-(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]-2-methylpropan-2-yl]phenyl]-3,9-diphenylcarbazole
CID 167289522
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159484807
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-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
CID 166564271
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-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
CID 146579190
4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 157313147
3-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-4-methylcarbazole
CID 164845430

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole?
The IUPAC name of 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole (CID 146578604) is 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole.
What is the SMILES notation for 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole?
The canonical SMILES for 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole is CC(C)(C)c1cc(-n2c3cccc(-c4ccccc4)c3c3c(C(C)(C)C)c(-c4ccccc4)ccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole?
The InChIKey is UKWVJBQYVITIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N/c1-40(2,3)30-25-31(41(4,5)6)27-32(26-30)43-35-22-16-21-33(28-17-12-10-13-18-28)37(35)38-36(43)24-23-34(39(38)42(7,8)9)29-19-14-11-15-20-29/h10-27H,1-9H3.
What are the key properties of 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole?
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole has a molecular weight of 563.83 g/mol, XLogP of 12.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole is sourced from PubChem (CID 146578604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).