9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole

C25H27BrN2 — CID 160870533

IUPAC9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccncc1Br
InChIInChI=1S/C25H27BrN2/c1-12-14(3)18(7)24-22(16(12)5)23-17(6)13(2)15(4)19(8)25(23)28(24)21-9-10-27-11-20(21)26/h9-11H,1-8H3
InChIKeyUYSQVHALQPTQNL-UHFFFAOYSA-N
MW435.41 g/mol
LogP7.41
Rot. Bonds1

About 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole

9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole (PubChem CID 160870533) has the molecular formula C25H27BrN2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole.

Molecular Properties

Compound Name9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole
PubChem CID160870533
Molecular FormulaC25H27BrN2
Molecular Weight435.41 g/mol
Exact Mass434.14
IUPAC Name9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccncc1Br
InChIInChI=1S/C25H27BrN2/c1-12-14(3)18(7)24-22(16(12)5)23-17(6)13(2)15(4)19(8)25(23)28(24)21-9-10-27-11-20(21)26/h9-11H,1-8H3
InChIKeyUYSQVHALQPTQNL-UHFFFAOYSA-N
XLogP7.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
CID 104778676
3-bromo-4-(3-methyl-1,2,4-triazol-4-yl)pyridine
CID 90199424
3-bromo-4-(2-ethylimidazol-1-yl)pyridine
CID 104778672
3-bromo-4-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 166607440
1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
CID 104777973
1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
CID 104778657
1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
CID 104777827
3-bromo-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine
CID 104778675
3-bromo-4-methylpyridine;ethane
CID 143472846
3-bromo-4-(4-phenylpyrazol-1-yl)pyridine
CID 104778680
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557
4-bromo-1-(3-bromo-4-pyridinyl)pyrazol-3-amine
CID 104777834

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole?
The IUPAC name of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole (CID 160870533) is 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole.
What is the SMILES notation for 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole?
The canonical SMILES for 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole is Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccncc1Br.
What is the InChIKey of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole?
The InChIKey is UYSQVHALQPTQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2/c1-12-14(3)18(7)24-22(16(12)5)23-17(6)13(2)15(4)19(8)25(23)28(24)21-9-10-27-11-20(21)26/h9-11H,1-8H3.
What are the key properties of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole?
9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole has a molecular weight of 435.41 g/mol, XLogP of 7.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole is sourced from PubChem (CID 160870533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).