9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole

C82H80N4 — CID 160742117

IUPAC9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC(C)(C)c1cccc(-n2c3ccccc3c3ccccc32)c1.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/3C22H21N.C16H17N/c1-22(2,3)16-9-8-10-17(15-16)23-20-13-6-4-11-18(20)19-12-5-7-14-21(19)23;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-13-14-19-18-11-7-8-12-20(18)23(21(19)15-16)17-9-5-4-6-10-17;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h3*4-15H,1-3H3;4-11H,1-3H3
InChIKeyRVSJPHQEHJVEQE-UHFFFAOYSA-N
MW1121.57 g/mol
LogP22.79
Rot. Bonds3

About 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole

9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole (PubChem CID 160742117) has the molecular formula C82H80N4 and a molecular weight of 1121.57 g/mol. Its IUPAC name is 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole.

Molecular Properties

Compound Name9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
PubChem CID160742117
Molecular FormulaC82H80N4
Molecular Weight1121.57 g/mol
Exact Mass1120.64
IUPAC Name9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC(C)(C)c1cccc(-n2c3ccccc3c3ccccc32)c1.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/3C22H21N.C16H17N/c1-22(2,3)16-9-8-10-17(15-16)23-20-13-6-4-11-18(20)19-12-5-7-14-21(19)23;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-13-14-19-18-11-7-8-12-20(18)23(21(19)15-16)17-9-5-4-6-10-17;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h3*4-15H,1-3H3;4-11H,1-3H3
InChIKeyRVSJPHQEHJVEQE-UHFFFAOYSA-N
XLogP22.79
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.57
LogP ≤ 522.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-tert-butylcarbazole;9-(3-tert-butyl-5-carbazol-9-ylphenyl)carbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole;3-(3-tert-butylphenyl)-9-(4-phenylphenyl)carbazole
CID 159174538
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
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-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole?
The IUPAC name of 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole (CID 160742117) is 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole.
What is the SMILES notation for 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole?
The canonical SMILES for 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC(C)(C)c1cccc(-n2c3ccccc3c3ccccc32)c1.CC(C)(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole?
The InChIKey is RVSJPHQEHJVEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H21N.C16H17N/c1-22(2,3)16-9-8-10-17(15-16)23-20-13-6-4-11-18(20)19-12-5-7-14-21(19)23;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-13-14-19-18-11-7-8-12-20(18)23(21(19)15-16)17-9-5-4-6-10-17;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h3*4-15H,1-3H3;4-11H,1-3H3.
What are the key properties of 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole?
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole has a molecular weight of 1121.57 g/mol, XLogP of 22.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole is sourced from PubChem (CID 160742117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).