4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole

C51H63N — CID 166564271

IUPAC4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
SMILESCC(C)(C)c1cc(Cc2cccc3c2c2c(C(C)(C)C)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C51H63N/c1-47(2,3)36-27-33(28-37(31-36)48(4,5)6)26-34-20-19-23-42-44(34)45-43(52(42)40-21-17-16-18-22-40)25-24-41(46(45)51(13,14)15)35-29-38(49(7,8)9)32-39(30-35)50(10,11)12/h16-25,27-32H,26H2,1-15H3
InChIKeyDSRHHRALLBKYSC-UHFFFAOYSA-N
MW690.07 g/mol
LogP14.53
Rot. Bonds4

About 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole

4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole (PubChem CID 166564271) has the molecular formula C51H63N and a molecular weight of 690.07 g/mol. Its IUPAC name is 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
PubChem CID166564271
Molecular FormulaC51H63N
Molecular Weight690.07 g/mol
Exact Mass689.50
IUPAC Name4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
SMILESCC(C)(C)c1cc(Cc2cccc3c2c2c(C(C)(C)C)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C51H63N/c1-47(2,3)36-27-33(28-37(31-36)48(4,5)6)26-34-20-19-23-42-44(34)45-43(52(42)40-21-17-16-18-22-40)25-24-41(46(45)51(13,14)15)35-29-38(49(7,8)9)32-39(30-35)50(10,11)12/h16-25,27-32H,26H2,1-15H3
InChIKeyDSRHHRALLBKYSC-UHFFFAOYSA-N
XLogP14.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.07
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
CID 166564278
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
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-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
3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 146579007
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
1-tert-butyl-9-(3,5-ditert-butylphenyl)-2-phenyldibenzofuran
CID 146579029
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran
CID 146579183
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
The IUPAC name of 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole (CID 166564271) is 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole.
What is the SMILES notation for 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
The canonical SMILES for 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole is CC(C)(C)c1cc(Cc2cccc3c2c2c(C(C)(C)C)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
The InChIKey is DSRHHRALLBKYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H63N/c1-47(2,3)36-27-33(28-37(31-36)48(4,5)6)26-34-20-19-23-42-44(34)45-43(52(42)40-21-17-16-18-22-40)25-24-41(46(45)51(13,14)15)35-29-38(49(7,8)9)32-39(30-35)50(10,11)12/h16-25,27-32H,26H2,1-15H3.
What are the key properties of 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole has a molecular weight of 690.07 g/mol, XLogP of 14.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole is sourced from PubChem (CID 166564271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).