4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole

C22H23N — CID 170102498

IUPAC4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole
SMILESCC(C)(C)c1cccc2c1c1ccccc1n2C1=CCCC=C1
InChIInChI=1S/C22H23N/c1-22(2,3)18-13-9-15-20-21(18)17-12-7-8-14-19(17)23(20)16-10-5-4-6-11-16/h5,7-15H,4,6H2,1-3H3
InChIKeyWOVPTCOPHAVIBO-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.28
Rot. Bonds1

About 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole

4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole (PubChem CID 170102498) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole
PubChem CID170102498
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole
SMILESCC(C)(C)c1cccc2c1c1ccccc1n2C1=CCCC=C1
InChIInChI=1S/C22H23N/c1-22(2,3)18-13-9-15-20-21(18)17-12-7-8-14-19(17)23(20)16-10-5-4-6-11-16/h5,7-15H,4,6H2,1-3H3
InChIKeyWOVPTCOPHAVIBO-UHFFFAOYSA-N
XLogP6.28
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 ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
2-(9-cyclohexa-1,5-dien-1-ylcarbazol-2-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297166
19-cyclohexa-1,5-dien-1-yl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-15-amine
CID 163740808
2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
CID 145430412
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
9-cyclohexa-1,5-dien-1-yl-2-(10-phenanthren-2-ylanthracen-9-yl)carbazole
CID 89189458
1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 170242275
10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene
CID 146428607

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole?
The IUPAC name of 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole (CID 170102498) is 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole.
What is the SMILES notation for 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole?
The canonical SMILES for 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole is CC(C)(C)c1cccc2c1c1ccccc1n2C1=CCCC=C1.
What is the InChIKey of 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole?
The InChIKey is WOVPTCOPHAVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-22(2,3)18-13-9-15-20-21(18)17-12-7-8-14-19(17)23(20)16-10-5-4-6-11-16/h5,7-15H,4,6H2,1-3H3.
What are the key properties of 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole?
4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole has a molecular weight of 301.43 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole is sourced from PubChem (CID 170102498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).