10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole

C57H38N2O — CID 134223316

IUPAC10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5-c5ccccc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38N2O/c1-57(2)48-22-12-9-20-40(48)42-31-45-43-29-36(25-27-51(43)58(53(45)33-49(42)57)38-17-7-4-8-18-38)37-26-28-52-44(30-37)46-32-47-41-21-11-14-24-55(41)60-56(47)34-54(46)59(52)50-23-13-10-19-39(50)35-15-5-3-6-16-35/h3-34H,1-2H3
InChIKeyCUPLILZKRRWIHI-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.42
Rot. Bonds4

About 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223316) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223316
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5-c5ccccc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38N2O/c1-57(2)48-22-12-9-20-40(48)42-31-45-43-29-36(25-27-51(43)58(53(45)33-49(42)57)38-17-7-4-8-18-38)37-26-28-52-44(30-37)46-32-47-41-21-11-14-24-55(41)60-56(47)34-54(46)59(52)50-23-13-10-19-39(50)35-15-5-3-6-16-35/h3-34H,1-2H3
InChIKeyCUPLILZKRRWIHI-UHFFFAOYSA-N
XLogP15.42
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole (CID 134223316) is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5-c5ccccc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is CUPLILZKRRWIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-57(2)48-22-12-9-20-40(48)42-31-45-43-29-36(25-27-51(43)58(53(45)33-49(42)57)38-17-7-4-8-18-38)37-26-28-52-44(30-37)46-32-47-41-21-11-14-24-55(41)60-56(47)34-54(46)59(52)50-23-13-10-19-39(50)35-15-5-3-6-16-35/h3-34H,1-2H3.
What are the key properties of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 766.94 g/mol, XLogP of 15.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2-phenylphenyl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).