1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone

C40H29NO — CID 123334764

IUPAC1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-n1c2ccc(-c3ccccc3)cc2c2ccc3c(c21)C(C)c1ccc(-c2ccccc2)cc1-3
InChIInChI=1S/C40H29NO/c1-25-31-19-17-29(27-11-5-3-6-12-27)23-35(31)33-20-21-34-36-24-30(28-13-7-4-8-14-28)18-22-38(36)41(40(34)39(25)33)37-16-10-9-15-32(37)26(2)42/h3-25H,1-2H3
InChIKeyVZSOMHJELZNXIE-UHFFFAOYSA-N
MW539.68 g/mol
LogP10.45
Rot. Bonds4

About 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone

1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone (PubChem CID 123334764) has the molecular formula C40H29NO and a molecular weight of 539.68 g/mol. Its IUPAC name is 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone
PubChem CID123334764
Molecular FormulaC40H29NO
Molecular Weight539.68 g/mol
Exact Mass539.22
IUPAC Name1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-n1c2ccc(-c3ccccc3)cc2c2ccc3c(c21)C(C)c1ccc(-c2ccccc2)cc1-3
InChIInChI=1S/C40H29NO/c1-25-31-19-17-29(27-11-5-3-6-12-27)23-35(31)33-20-21-34-36-24-30(28-13-7-4-8-14-28)18-22-38(36)41(40(34)39(25)33)37-16-10-9-15-32(37)26(2)42/h3-25H,1-2H3
InChIKeyVZSOMHJELZNXIE-UHFFFAOYSA-N
XLogP10.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid
CID 175205717
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
4-[28-(4-carboxyphenyl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7(12),8,10,14,16,18(31),20,22,24,26(32),27,29-pentadecaen-9-yl]benzoic acid
CID 169018737
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 138612489
9,16,34,41-tetraphenyl-1,5,16,34-tetraza-23,27-diboratridecacyclo[25.17.2.212,15.02,26.04,24.05,13.06,11.014,23.017,22.028,33.035,46.038,45.039,44]octatetraconta-2(26),3,6(11),7,9,12,14,17,19,21,24,28,30,32,35(46),36,38(45),39(44),40,42,47-henicosaene
CID 167378373
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179751
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole
CID 170209650

Frequently Asked Questions

What is the IUPAC name of 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone (CID 123334764) is 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone is CC(=O)c1ccccc1-n1c2ccc(-c3ccccc3)cc2c2ccc3c(c21)C(C)c1ccc(-c2ccccc2)cc1-3.
What is the InChIKey of 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone?
The InChIKey is VZSOMHJELZNXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29NO/c1-25-31-19-17-29(27-11-5-3-6-12-27)23-35(31)33-20-21-34-36-24-30(28-13-7-4-8-14-28)18-22-38(36)41(40(34)39(25)33)37-16-10-9-15-32(37)26(2)42/h3-25H,1-2H3.
What are the key properties of 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone?
1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone has a molecular weight of 539.68 g/mol, XLogP of 10.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(12-methyl-3,8-diphenyl-12H-indeno[2,1-a]carbazol-11-yl)phenyl]ethanone is sourced from PubChem (CID 123334764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).