2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole

C20H17BrN2 — CID 118915707

IUPAC2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Br)cc32)c1
InChIInChI=1S/C20H17BrN2/c1-13(2)14-9-10-22-20(11-14)23-18-6-4-3-5-16(18)17-8-7-15(21)12-19(17)23/h3-13H,1-2H3
InChIKeyXMJUPFHQBRMEGT-UHFFFAOYSA-N
MW365.27 g/mol
LogP6.06
Rot. Bonds2

About 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole

2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 118915707) has the molecular formula C20H17BrN2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole
PubChem CID118915707
Molecular FormulaC20H17BrN2
Molecular Weight365.27 g/mol
Exact Mass364.06
IUPAC Name2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Br)cc32)c1
InChIInChI=1S/C20H17BrN2/c1-13(2)14-9-10-22-20(11-14)23-18-6-4-3-5-16(18)17-8-7-15(21)12-19(17)23/h3-13H,1-2H3
InChIKeyXMJUPFHQBRMEGT-UHFFFAOYSA-N
XLogP6.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol
CID 176606207
2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
CID 176606775
diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane
CID 167382940
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 167399451
N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
CID 140743331
1-N,1-N,3-N,3-N,5-pentamethyl-2-[1-[3-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414866
3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine
CID 171415869
2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine
CID 175245407
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153413086

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 118915707) is 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole is CC(C)c1ccnc(-n2c3ccccc3c3ccc(Br)cc32)c1.
What is the InChIKey of 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The InChIKey is XMJUPFHQBRMEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2/c1-13(2)14-9-10-22-20(11-14)23-18-6-4-3-5-16(18)17-8-7-15(21)12-19(17)23/h3-13H,1-2H3.
What are the key properties of 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole?
2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 365.27 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 118915707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).