6-tert-butyl-9-phenyl-3,4-dihydrocarbazole

C22H23N — CID 134351479

IUPAC6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC1
InChIInChI=1S/C22H23N/c1-22(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/h4-6,8-10,12-15H,7,11H2,1-3H3
InChIKeyVZNAZDKCBSCRNA-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.89
Rot. Bonds1

About 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole

6-tert-butyl-9-phenyl-3,4-dihydrocarbazole (PubChem CID 134351479) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
PubChem CID134351479
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC1
InChIInChI=1S/C22H23N/c1-22(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/h4-6,8-10,12-15H,7,11H2,1-3H3
InChIKeyVZNAZDKCBSCRNA-UHFFFAOYSA-N
XLogP5.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-tert-butylcarbazol-9-yl)-5-[3-(6-tert-butyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163851325
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione
CID 166956508
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole (CID 134351479) is 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole is CC(C)(C)c1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC1.
What is the InChIKey of 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole?
The InChIKey is VZNAZDKCBSCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-22(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/h4-6,8-10,12-15H,7,11H2,1-3H3.
What are the key properties of 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole?
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole has a molecular weight of 301.43 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-9-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 134351479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).