2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

C51H34N2O — CID 134223372

IUPAC2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)38-24-25-40-42-29-31(22-28-44(42)52(48(40)47(38)51)33-13-5-3-6-14-33)32-21-23-36-39-26-27-41-37-18-10-12-20-46(37)54-50(41)49(39)53(45(36)30-32)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyWDZCLBPQCRKJPB-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.75
Rot. Bonds3

About 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 134223372) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID134223372
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)38-24-25-40-42-29-31(22-28-44(42)52(48(40)47(38)51)33-13-5-3-6-14-33)32-21-23-36-39-26-27-41-37-18-10-12-20-46(37)54-50(41)49(39)53(45(36)30-32)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyWDZCLBPQCRKJPB-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

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Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 134223372) is 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is WDZCLBPQCRKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)38-24-25-40-42-29-31(22-28-44(42)52(48(40)47(38)51)33-13-5-3-6-14-33)32-21-23-36-39-26-27-41-37-18-10-12-20-46(37)54-50(41)49(39)53(45(36)30-32)34-15-7-4-8-16-34/h3-30H,1-2H3.
What are the key properties of 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-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 2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 134223372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).