12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole

C43H33N3 — CID 118534311

IUPAC12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(Cn4nc(-c5cccc(-c6ccccc6)c5)cc4-c4ccccc4)c3c21
InChIInChI=1S/C43H33N3/c1-43(2)37-22-11-9-20-33(37)35-24-25-36-34-21-10-12-23-39(34)45(42(36)41(35)43)28-46-40(30-16-7-4-8-17-30)27-38(44-46)32-19-13-18-31(26-32)29-14-5-3-6-15-29/h3-27H,28H2,1-2H3
InChIKeyQECHYJRJSQQQFR-UHFFFAOYSA-N
MW591.76 g/mol
LogP10.80
Rot. Bonds5

About 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole

12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole (PubChem CID 118534311) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole
PubChem CID118534311
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(Cn4nc(-c5cccc(-c6ccccc6)c5)cc4-c4ccccc4)c3c21
InChIInChI=1S/C43H33N3/c1-43(2)37-22-11-9-20-33(37)35-24-25-36-34-21-10-12-23-39(34)45(42(36)41(35)43)28-46-40(30-16-7-4-8-17-30)27-38(44-46)32-19-13-18-31(26-32)29-14-5-3-6-15-29/h3-27H,28H2,1-2H3
InChIKeyQECHYJRJSQQQFR-UHFFFAOYSA-N
XLogP10.80
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole (CID 118534311) is 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(Cn4nc(-c5cccc(-c6ccccc6)c5)cc4-c4ccccc4)c3c21.
What is the InChIKey of 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole?
The InChIKey is QECHYJRJSQQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3/c1-43(2)37-22-11-9-20-33(37)35-24-25-36-34-21-10-12-23-39(34)45(42(36)41(35)43)28-46-40(30-16-7-4-8-17-30)27-38(44-46)32-19-13-18-31(26-32)29-14-5-3-6-15-29/h3-27H,28H2,1-2H3.
What are the key properties of 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole?
12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole has a molecular weight of 591.76 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-[[5-phenyl-3-(3-phenylphenyl)pyrazol-1-yl]methyl]indeno[2,1-a]carbazole is sourced from PubChem (CID 118534311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).