2-tert-butyl-9-(4-phenylphenyl)carbazole

C28H25N — CID 122692449

IUPAC2-tert-butyl-9-(4-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C28H25N/c1-28(2,3)22-15-18-25-24-11-7-8-12-26(24)29(27(25)19-22)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19H,1-3H3
InChIKeyLRYKEQAQTONSTH-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.75
Rot. Bonds2

About 2-tert-butyl-9-(4-phenylphenyl)carbazole

2-tert-butyl-9-(4-phenylphenyl)carbazole (PubChem CID 122692449) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-tert-butyl-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-(4-phenylphenyl)carbazole
PubChem CID122692449
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name2-tert-butyl-9-(4-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C28H25N/c1-28(2,3)22-15-18-25-24-11-7-8-12-26(24)29(27(25)19-22)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19H,1-3H3
InChIKeyLRYKEQAQTONSTH-UHFFFAOYSA-N
XLogP7.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
CID 134419811
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-(4-phenylphenyl)carbazole?
The IUPAC name of 2-tert-butyl-9-(4-phenylphenyl)carbazole (CID 122692449) is 2-tert-butyl-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 2-tert-butyl-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 2-tert-butyl-9-(4-phenylphenyl)carbazole is CC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 2-tert-butyl-9-(4-phenylphenyl)carbazole?
The InChIKey is LRYKEQAQTONSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-28(2,3)22-15-18-25-24-11-7-8-12-26(24)29(27(25)19-22)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19H,1-3H3.
What are the key properties of 2-tert-butyl-9-(4-phenylphenyl)carbazole?
2-tert-butyl-9-(4-phenylphenyl)carbazole has a molecular weight of 375.52 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 122692449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).