5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole

C24H20ClN — CID 164770152

IUPAC5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole
SMILESCc1cc(Cl)cc(-n2c3c(c4ccccc42)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C24H20ClN/c1-15-12-16(25)14-17(13-15)26-21-11-7-5-9-19(21)22-18-8-4-6-10-20(18)24(2,3)23(22)26/h4-14H,1-3H3
InChIKeyMBAYEPOWKHTFMN-UHFFFAOYSA-N
MW357.88 g/mol
LogP6.90
Rot. Bonds1

About 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole

5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole (PubChem CID 164770152) has the molecular formula C24H20ClN and a molecular weight of 357.88 g/mol. Its IUPAC name is 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole.

Molecular Properties

Compound Name5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole
PubChem CID164770152
Molecular FormulaC24H20ClN
Molecular Weight357.88 g/mol
Exact Mass357.13
IUPAC Name5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole
SMILESCc1cc(Cl)cc(-n2c3c(c4ccccc42)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C24H20ClN/c1-15-12-16(25)14-17(13-15)26-21-11-7-5-9-19(21)22-18-8-4-6-10-20(18)24(2,3)23(22)26/h4-14H,1-3H3
InChIKeyMBAYEPOWKHTFMN-UHFFFAOYSA-N
XLogP6.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole
CID 164771283
8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole
CID 164708854
2,5,6,6-tetramethylindeno[2,1-b]indole
CID 160526639
9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
CID 121287743
9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
CID 59219726
5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole
CID 121298607
5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 176626786
7,7,12-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 134235778
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
6,6-dimethyl-5-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]indeno[2,1-b]indole
CID 144827727

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole?
The IUPAC name of 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole (CID 164770152) is 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole.
What is the SMILES notation for 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole?
The canonical SMILES for 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole is Cc1cc(Cl)cc(-n2c3c(c4ccccc42)-c2ccccc2C3(C)C)c1.
What is the InChIKey of 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole?
The InChIKey is MBAYEPOWKHTFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN/c1-15-12-16(25)14-17(13-15)26-21-11-7-5-9-19(21)22-18-8-4-6-10-20(18)24(2,3)23(22)26/h4-14H,1-3H3.
What are the key properties of 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole?
5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole has a molecular weight of 357.88 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole is sourced from PubChem (CID 164770152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).