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

C57H38N2O — CID 134223318

IUPAC10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccccc6)c5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38N2O/c1-57(2)49-22-11-9-20-41(49)43-31-46-44-29-37(24-26-51(44)58(53(46)33-50(43)57)39-17-7-4-8-18-39)38-25-27-52-45(30-38)47-32-48-42-21-10-12-23-55(42)60-56(48)34-54(47)59(52)40-19-13-16-36(28-40)35-14-5-3-6-15-35/h3-34H,1-2H3
InChIKeyDMSLKUVTYHYSOX-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.42
Rot. Bonds4

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

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223318) 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-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223318
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccccc6)c5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38N2O/c1-57(2)49-22-11-9-20-41(49)43-31-46-44-29-37(24-26-51(44)58(53(46)33-50(43)57)39-17-7-4-8-18-39)38-25-27-52-45(30-38)47-32-48-42-21-10-12-23-55(42)60-56(48)34-54(47)59(52)40-19-13-16-36(28-40)35-14-5-3-6-15-35/h3-34H,1-2H3
InChIKeyDMSLKUVTYHYSOX-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-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole (CID 134223318) is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-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-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccccc6)c5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is DMSLKUVTYHYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-57(2)49-22-11-9-20-41(49)43-31-46-44-29-37(24-26-51(44)58(53(46)33-50(43)57)39-17-7-4-8-18-39)38-25-27-52-45(30-38)47-32-48-42-21-10-12-23-55(42)60-56(48)34-54(47)59(52)40-19-13-16-36(28-40)35-14-5-3-6-15-35/h3-34H,1-2H3.
What are the key properties of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole?
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-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-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).