3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole

C29H34N2 — CID 166589169

IUPAC3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1CCCN2
InChIInChI=1S/C29H34N2/c1-28(2,3)19-12-14-26-22(17-19)23-18-20(29(4,5)6)13-15-27(23)31(26)25-11-7-10-24-21(25)9-8-16-30-24/h7,10-15,17-18,30H,8-9,16H2,1-6H3
InChIKeyDSZLAVNVGJDDBY-UHFFFAOYSA-N
MW410.61 g/mol
LogP7.74
Rot. Bonds1

About 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole

3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole (PubChem CID 166589169) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole
PubChem CID166589169
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1CCCN2
InChIInChI=1S/C29H34N2/c1-28(2,3)19-12-14-26-22(17-19)23-18-20(29(4,5)6)13-15-27(23)31(26)25-11-7-10-24-21(25)9-8-16-30-24/h7,10-15,17-18,30H,8-9,16H2,1-6H3
InChIKeyDSZLAVNVGJDDBY-UHFFFAOYSA-N
XLogP7.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole
CID 134509749
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CID 81224139
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266
5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82693965
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide
CID 24705308
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214682
5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215390
3,6-ditert-butyl-9-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]-3-pyridinyl]carbazole
CID 122433677
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CID 140917926
4-(3,6-ditert-butylcarbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 177115147
8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
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9-(2,5-ditert-butylphenyl)carbazole
CID 143599034

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole?
The IUPAC name of 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole (CID 166589169) is 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1CCCN2.
What is the InChIKey of 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole?
The InChIKey is DSZLAVNVGJDDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2/c1-28(2,3)19-12-14-26-22(17-19)23-18-20(29(4,5)6)13-15-27(23)31(26)25-11-7-10-24-21(25)9-8-16-30-24/h7,10-15,17-18,30H,8-9,16H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole?
3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole has a molecular weight of 410.61 g/mol, XLogP of 7.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole is sourced from PubChem (CID 166589169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).