7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole

C52H38N2O — CID 145140935

IUPAC7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole
SMILESCc1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccc(-c3ccc5c6cc7c(cc6n(C6C=CC=CC6)c5c3)oc3ccccc37)cc2-4)c1
InChIInChI=1S/C52H38N2O/c1-31-12-11-15-35(24-31)54-46-18-9-7-16-36(46)41-27-40-39-25-32(21-23-44(39)52(2,3)45(40)29-48(41)54)33-20-22-37-42-28-43-38-17-8-10-19-50(38)55-51(43)30-49(42)53(47(37)26-33)34-13-5-4-6-14-34/h4-13,15-30,34H,14H2,1-3H3
InChIKeyOJHCSWQAOWPDQI-UHFFFAOYSA-N
MW706.89 g/mol
LogP14.13
Rot. Bonds3

About 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole

7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 145140935) has the molecular formula C52H38N2O and a molecular weight of 706.89 g/mol. Its IUPAC name is 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID145140935
Molecular FormulaC52H38N2O
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC Name7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole
SMILESCc1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccc(-c3ccc5c6cc7c(cc6n(C6C=CC=CC6)c5c3)oc3ccccc37)cc2-4)c1
InChIInChI=1S/C52H38N2O/c1-31-12-11-15-35(24-31)54-46-18-9-7-16-36(46)41-27-40-39-25-32(21-23-44(39)52(2,3)45(40)29-48(41)54)33-20-22-37-42-28-43-38-17-8-10-19-50(38)55-51(43)30-49(42)53(47(37)26-33)34-13-5-4-6-14-34/h4-13,15-30,34H,14H2,1-3H3
InChIKeyOJHCSWQAOWPDQI-UHFFFAOYSA-N
XLogP14.13
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223402
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223673
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
10-[5-(2,6-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223705
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
3-dibenzofuran-3-yl-9-(3-methylphenyl)carbazole
CID 170131130
7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158509245

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole (CID 145140935) is 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole is Cc1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccc(-c3ccc5c6cc7c(cc6n(C6C=CC=CC6)c5c3)oc3ccccc37)cc2-4)c1.
What is the InChIKey of 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is OJHCSWQAOWPDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O/c1-31-12-11-15-35(24-31)54-46-18-9-7-16-36(46)41-27-40-39-25-32(21-23-44(39)52(2,3)45(40)29-48(41)54)33-20-22-37-42-28-43-38-17-8-10-19-50(38)55-51(43)30-49(42)53(47(37)26-33)34-13-5-4-6-14-34/h4-13,15-30,34H,14H2,1-3H3.
What are the key properties of 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole?
7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 706.89 g/mol, XLogP of 14.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145140935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).