12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole

C27H21N — CID 145377277

IUPAC12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole
SMILESCC1(C2=CC=CCC=C2)c2ccccc2-c2ccc3c([nH]c4ccccc43)c21
InChIInChI=1S/C27H21N/c1-27(18-10-4-2-3-5-11-18)23-14-8-6-12-19(23)21-16-17-22-20-13-7-9-15-24(20)28-26(22)25(21)27/h2,4-17,28H,3H2,1H3
InChIKeyQQCZDFVPBAZAMW-UHFFFAOYSA-N
MW359.47 g/mol
LogP7.05
Rot. Bonds1

About 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole

12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole (PubChem CID 145377277) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole
PubChem CID145377277
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole
SMILESCC1(C2=CC=CCC=C2)c2ccccc2-c2ccc3c([nH]c4ccccc43)c21
InChIInChI=1S/C27H21N/c1-27(18-10-4-2-3-5-11-18)23-14-8-6-12-19(23)21-16-17-22-20-13-7-9-15-24(20)28-26(22)25(21)27/h2,4-17,28H,3H2,1H3
InChIKeyQQCZDFVPBAZAMW-UHFFFAOYSA-N
XLogP7.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[11H-indeno[2,1-a]carbazole-12,9'-fluorene]
CID 118343947
19,19-dimethyl-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126738032
1-(1-methylcyclohexyl)-9H-carbazole
CID 173176825
19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane
CID 145085094
23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545864
22,22-dimethyl-14-phenyl-3,14-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 90270162
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
CID 126566268
11,12-dihydroindolo[2,3-a]carbazol-11-ium
CID 145186761
3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
CID 147990187
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978

Frequently Asked Questions

What is the IUPAC name of 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole?
The IUPAC name of 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole (CID 145377277) is 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole.
What is the SMILES notation for 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole?
The canonical SMILES for 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole is CC1(C2=CC=CCC=C2)c2ccccc2-c2ccc3c([nH]c4ccccc43)c21.
What is the InChIKey of 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole?
The InChIKey is QQCZDFVPBAZAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-27(18-10-4-2-3-5-11-18)23-14-8-6-12-19(23)21-16-17-22-20-13-7-9-15-24(20)28-26(22)25(21)27/h2,4-17,28H,3H2,1H3.
What are the key properties of 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole?
12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole has a molecular weight of 359.47 g/mol, XLogP of 7.05, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole is sourced from PubChem (CID 145377277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).