3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole

C52H38N2O — CID 145141060

IUPAC3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESCC1CC=Cc2c1oc1c2ccc2c1c1ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)-c3ccccc3C5(C)C)cc1n2-c1ccccc1
InChIInChI=1S/C52H38N2O/c1-31-13-12-19-38-39-25-28-45-48(51(39)55-50(31)38)40-23-21-33(30-46(40)54(45)35-16-8-5-9-17-35)32-22-26-43-41(29-32)47-44(53(43)34-14-6-4-7-15-34)27-24-37-36-18-10-11-20-42(36)52(2,3)49(37)47/h4-12,14-31H,13H2,1-3H3
InChIKeyWXVCEECZBVJZFW-UHFFFAOYSA-N
MW706.89 g/mol
LogP14.12
Rot. Bonds3

About 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole

3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 145141060) has the molecular formula C52H38N2O and a molecular weight of 706.89 g/mol. Its IUPAC name is 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID145141060
Molecular FormulaC52H38N2O
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC Name3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESCC1CC=Cc2c1oc1c2ccc2c1c1ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)-c3ccccc3C5(C)C)cc1n2-c1ccccc1
InChIInChI=1S/C52H38N2O/c1-31-13-12-19-38-39-25-28-45-48(51(39)55-50(31)38)40-23-21-33(30-46(40)54(45)35-16-8-5-9-17-35)32-22-26-43-41(29-32)47-44(53(43)34-14-6-4-7-15-34)27-24-37-36-18-10-11-20-42(36)52(2,3)49(37)47/h4-12,14-31H,13H2,1-3H3
InChIKeyWXVCEECZBVJZFW-UHFFFAOYSA-N
XLogP14.12
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 ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126632761
11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole
CID 163491403
10-(12,12-dimethyl-5-phenylindeno[2,1-g]carbazol-3-yl)-4-[5,12-diphenyl-3-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)indolo[3,2-a]carbazol-7-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223495
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126632745
2-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;3-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
CID 158000888
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864

Frequently Asked Questions

What is the IUPAC name of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole (CID 145141060) is 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole is CC1CC=Cc2c1oc1c2ccc2c1c1ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)-c3ccccc3C5(C)C)cc1n2-c1ccccc1.
What is the InChIKey of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is WXVCEECZBVJZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O/c1-31-13-12-19-38-39-25-28-45-48(51(39)55-50(31)38)40-23-21-33(30-46(40)54(45)35-16-8-5-9-17-35)32-22-26-43-41(29-32)47-44(53(43)34-14-6-4-7-15-34)27-24-37-36-18-10-11-20-42(36)52(2,3)49(37)47/h4-12,14-31H,13H2,1-3H3.
What are the key properties of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole?
3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 706.89 g/mol, XLogP of 14.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-methyl-5-phenyl-10,11-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 145141060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).