8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

C51H34N2O — CID 134223342

IUPAC8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2cc5oc6ccccc6c5cc2n4-c2ccccc2)ccc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)37-28-47-40(27-44(37)51)38-25-31(21-23-45(38)52(47)33-13-5-3-6-14-33)32-22-24-46-39(26-32)41-30-50-42(36-18-10-12-20-49(36)54-50)29-48(41)53(46)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyPIDXXOAZDDWXKO-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.75
Rot. Bonds3

About 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 134223342) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID134223342
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2cc5oc6ccccc6c5cc2n4-c2ccccc2)ccc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)37-28-47-40(27-44(37)51)38-25-31(21-23-45(38)52(47)33-13-5-3-6-14-33)32-22-24-46-39(26-32)41-30-50-42(36-18-10-12-20-49(36)54-50)29-48(41)53(46)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyPIDXXOAZDDWXKO-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 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 134223342) is 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2cc5oc6ccccc6c5cc2n4-c2ccccc2)ccc1n3-c1ccccc1.
What is the InChIKey of 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is PIDXXOAZDDWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)37-28-47-40(27-44(37)51)38-25-31(21-23-45(38)52(47)33-13-5-3-6-14-33)32-22-24-46-39(26-32)41-30-50-42(36-18-10-12-20-49(36)54-50)29-48(41)53(46)34-15-7-4-8-16-34/h3-30H,1-2H3.
What are the key properties of 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]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 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 134223342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).