(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone

C24H22BrNO4 — CID 71699101

IUPAC(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2cc(C)c3[nH]c4ccc(Br)cc4c3c2C)cc1OC
InChIInChI=1S/C24H22BrNO4/c1-12-8-15(13(2)22-16-9-14(25)6-7-18(16)26-23(12)22)24(27)17-10-20(29-4)21(30-5)11-19(17)28-3/h6-11,26H,1-5H3
InChIKeyZLDZFCSYXSMVTH-UHFFFAOYSA-N
MW468.35 g/mol
LogP5.96
Rot. Bonds5

About (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone

(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 71699101) has the molecular formula C24H22BrNO4 and a molecular weight of 468.35 g/mol. Its IUPAC name is (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone
PubChem CID71699101
Molecular FormulaC24H22BrNO4
Molecular Weight468.35 g/mol
Exact Mass467.07
IUPAC Name(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2cc(C)c3[nH]c4ccc(Br)cc4c3c2C)cc1OC
InChIInChI=1S/C24H22BrNO4/c1-12-8-15(13(2)22-16-9-14(25)6-7-18(16)26-23(12)22)24(27)17-10-20(29-4)21(30-5)11-19(17)28-3/h6-11,26H,1-5H3
InChIKeyZLDZFCSYXSMVTH-UHFFFAOYSA-N
XLogP5.96
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
CID 71699443
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
10-bromo-6-methyl-7H-benzo[c]carbazole
CID 71526861
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
CID 168592786
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone
CID 71699522
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
9-bromo-2-(methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 10738843
N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide
CID 139222900
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone (CID 71699101) is (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)c2cc(C)c3[nH]c4ccc(Br)cc4c3c2C)cc1OC.
What is the InChIKey of (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZLDZFCSYXSMVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrNO4/c1-12-8-15(13(2)22-16-9-14(25)6-7-18(16)26-23(12)22)24(27)17-10-20(29-4)21(30-5)11-19(17)28-3/h6-11,26H,1-5H3.
What are the key properties of (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone?
(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 468.35 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71699101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).