2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole

C26H29NS — CID 170187898

IUPAC2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
SMILESCSC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C26H29NS/c1-25(2,3)18-12-14-21-22-15-13-19(26(4,5)28-6)17-24(22)27(23(21)16-18)20-10-8-7-9-11-20/h7-17H,1-6H3
InChIKeyVSSIBKVSZMAQQF-UHFFFAOYSA-N
MW387.59 g/mol
LogP7.68
Rot. Bonds3

About 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole

2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole (PubChem CID 170187898) has the molecular formula C26H29NS and a molecular weight of 387.59 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
PubChem CID170187898
Molecular FormulaC26H29NS
Molecular Weight387.59 g/mol
Exact Mass387.20
IUPAC Name2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
SMILESCSC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C26H29NS/c1-25(2,3)18-12-14-21-22-15-13-19(26(4,5)28-6)17-24(22)27(23(21)16-18)20-10-8-7-9-11-20/h7-17H,1-6H3
InChIKeyVSSIBKVSZMAQQF-UHFFFAOYSA-N
XLogP7.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176617143
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
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-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole?
The IUPAC name of 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole (CID 170187898) is 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole?
The canonical SMILES for 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole is CSC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole?
The InChIKey is VSSIBKVSZMAQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NS/c1-25(2,3)18-12-14-21-22-15-13-19(26(4,5)28-6)17-24(22)27(23(21)16-18)20-10-8-7-9-11-20/h7-17H,1-6H3.
What are the key properties of 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole?
2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole has a molecular weight of 387.59 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 170187898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).