(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone

C21H16ClNO — CID 71699443

IUPAC(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(C)c2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C21H16ClNO/c1-12-10-16(21(24)14-6-4-3-5-7-14)13(2)19-17-11-15(22)8-9-18(17)23-20(12)19/h3-11,23H,1-2H3
InChIKeyABQGFWHJYDCYDD-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.82
Rot. Bonds2

About (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone

(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone (PubChem CID 71699443) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
PubChem CID71699443
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(C)c2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C21H16ClNO/c1-12-10-16(21(24)14-6-4-3-5-7-14)13(2)19-17-11-15(22)8-9-18(17)23-20(12)19/h3-11,23H,1-2H3
InChIKeyABQGFWHJYDCYDD-UHFFFAOYSA-N
XLogP5.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone
CID 71699522
(6-chloro-3-methyl-9H-[1,2]dioxino[3,4-b]indol-4-yl)-phenylmethanone
CID 135264275
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
CID 10064291
(4-chlorophenyl)-(1-hydroxy-9H-carbazol-2-yl)methanone
CID 139187068
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
7-chloro-4-methyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175119806
benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-phenylmethanone
CID 167538525
(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone
CID 66765937
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 90673417

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone?
The IUPAC name of (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone (CID 71699443) is (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone.
What is the SMILES notation for (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone?
The canonical SMILES for (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)c(C)c2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone?
The InChIKey is ABQGFWHJYDCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c1-12-10-16(21(24)14-6-4-3-5-7-14)13(2)19-17-11-15(22)8-9-18(17)23-20(12)19/h3-11,23H,1-2H3.
What are the key properties of (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone?
(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone has a molecular weight of 333.82 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone is sourced from PubChem (CID 71699443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).