5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole

C47H32N2O — CID 90191421

IUPAC5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole
SMILESCC1(C)c2ccccc2-c2c1n(-c1cccc3c1oc1ccccc13)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C47H32N2O/c1-47(2)38-19-9-6-17-35(38)44-37-28-30(29-23-25-40-36(27-29)32-15-7-10-20-39(32)48(40)31-13-4-3-5-14-31)24-26-41(37)49(46(44)47)42-21-12-18-34-33-16-8-11-22-43(33)50-45(34)42/h3-28H,1-2H3
InChIKeyXVJVZAHAPHAXMP-UHFFFAOYSA-N
MW640.79 g/mol
LogP12.60
Rot. Bonds3

About 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole

5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole (PubChem CID 90191421) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole
PubChem CID90191421
Molecular FormulaC47H32N2O
Molecular Weight640.79 g/mol
Exact Mass640.25
IUPAC Name5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole
SMILESCC1(C)c2ccccc2-c2c1n(-c1cccc3c1oc1ccccc13)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C47H32N2O/c1-47(2)38-19-9-6-17-35(38)44-37-28-30(29-23-25-40-36(27-29)32-15-7-10-20-39(32)48(40)31-13-4-3-5-14-31)24-26-41(37)49(46(44)47)42-21-12-18-34-33-16-8-11-22-43(33)50-45(34)42/h3-28H,1-2H3
InChIKeyXVJVZAHAPHAXMP-UHFFFAOYSA-N
XLogP12.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole
CID 157306546
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole?
The IUPAC name of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole (CID 90191421) is 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole.
What is the SMILES notation for 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole?
The canonical SMILES for 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole is CC1(C)c2ccccc2-c2c1n(-c1cccc3c1oc1ccccc13)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole?
The InChIKey is XVJVZAHAPHAXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c1-47(2)38-19-9-6-17-35(38)44-37-28-30(29-23-25-40-36(27-29)32-15-7-10-20-39(32)48(40)31-13-4-3-5-14-31)24-26-41(37)49(46(44)47)42-21-12-18-34-33-16-8-11-22-43(33)50-45(34)42/h3-28H,1-2H3.
What are the key properties of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole?
5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole has a molecular weight of 640.79 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole is sourced from PubChem (CID 90191421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).