3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

C51H34N2O — CID 134223337

IUPAC3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2ccc5c6ccccc6oc5c2n4-c2ccccc2)ccc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)42-19-11-9-17-35(42)37-25-28-45-47(48(37)51)41-30-32(22-27-44(41)52(45)33-13-5-3-6-14-33)31-21-26-43-40(29-31)38-23-24-39-36-18-10-12-20-46(36)54-50(39)49(38)53(43)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyJSWMZCJBRMXZPO-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.75
Rot. Bonds3

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

3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 134223337) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID134223337
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2ccc5c6ccccc6oc5c2n4-c2ccccc2)ccc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)42-19-11-9-17-35(42)37-25-28-45-47(48(37)51)41-30-32(22-27-44(41)52(45)33-13-5-3-6-14-33)31-21-26-43-40(29-31)38-23-24-39-36-18-10-12-20-46(36)54-50(39)49(38)53(43)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyJSWMZCJBRMXZPO-UHFFFAOYSA-N
XLogP13.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 134223337) is 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2ccc5c6ccccc6oc5c2n4-c2ccccc2)ccc1n3-c1ccccc1.
What is the InChIKey of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is JSWMZCJBRMXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)42-19-11-9-17-35(42)37-25-28-45-47(48(37)51)41-30-32(22-27-44(41)52(45)33-13-5-3-6-14-33)31-21-26-43-40(29-31)38-23-24-39-36-18-10-12-20-46(36)54-50(39)49(38)53(43)34-15-7-4-8-16-34/h3-30H,1-2H3.
What are the key properties of 3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
3-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 690.85 g/mol, XLogP of 13.75, 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)-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 134223337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).