2,7-ditert-butyl-9H-carbazole;hydrobromide

C20H26BrN — CID 175936620

IUPAC2,7-ditert-butyl-9H-carbazole;hydrobromide
SMILESBr.CC(C)(C)c1ccc2c(c1)[nH]c1cc(C(C)(C)C)ccc12
InChIInChI=1S/C20H25N.BrH/c1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21-17(15)11-13;/h7-12,21H,1-6H3;1H
InChIKeyHAQXMPNPSBLKML-UHFFFAOYSA-N
MW360.34 g/mol
LogP6.49
Rot. Bonds

About 2,7-ditert-butyl-9H-carbazole;hydrobromide

2,7-ditert-butyl-9H-carbazole;hydrobromide (PubChem CID 175936620) has the molecular formula C20H26BrN and a molecular weight of 360.34 g/mol. Its IUPAC name is 2,7-ditert-butyl-9H-carbazole;hydrobromide.

Molecular Properties

Compound Name2,7-ditert-butyl-9H-carbazole;hydrobromide
PubChem CID175936620
Molecular FormulaC20H26BrN
Molecular Weight360.34 g/mol
Exact Mass359.12
IUPAC Name2,7-ditert-butyl-9H-carbazole;hydrobromide
SMILESBr.CC(C)(C)c1ccc2c(c1)[nH]c1cc(C(C)(C)C)ccc12
InChIInChI=1S/C20H25N.BrH/c1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21-17(15)11-13;/h7-12,21H,1-6H3;1H
InChIKeyHAQXMPNPSBLKML-UHFFFAOYSA-N
XLogP6.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
3,7-ditert-butyl-5H-pyrido[4,3-b]indole
CID 176800334
6,20-ditert-butyl-13-thia-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17(22),18,20-decaene
CID 102580108
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole
CID 175932907
5-tert-butyl-3-methyl-2H-isoindol-1-amine
CID 153425559
6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde
CID 71481983
6-tert-butyl-1H-benzimidazol-3-ium-2-amine
CID 21131531
6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one
CID 135581724
2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol
CID 117309958
bis[2-(6-chloro-9H-carbazol-2-yl)propan-2-yl] propanedioate
CID 23337481
6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole
CID 166453411

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9H-carbazole;hydrobromide?
The IUPAC name of 2,7-ditert-butyl-9H-carbazole;hydrobromide (CID 175936620) is 2,7-ditert-butyl-9H-carbazole;hydrobromide.
What is the SMILES notation for 2,7-ditert-butyl-9H-carbazole;hydrobromide?
The canonical SMILES for 2,7-ditert-butyl-9H-carbazole;hydrobromide is Br.CC(C)(C)c1ccc2c(c1)[nH]c1cc(C(C)(C)C)ccc12.
What is the InChIKey of 2,7-ditert-butyl-9H-carbazole;hydrobromide?
The InChIKey is HAQXMPNPSBLKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.BrH/c1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21-17(15)11-13;/h7-12,21H,1-6H3;1H.
What are the key properties of 2,7-ditert-butyl-9H-carbazole;hydrobromide?
2,7-ditert-butyl-9H-carbazole;hydrobromide has a molecular weight of 360.34 g/mol, XLogP of 6.49, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9H-carbazole;hydrobromide is sourced from PubChem (CID 175936620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).