2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

C60H34N2O3 — CID 134223329

IUPAC2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccc(-c5ccc7oc8ccccc8c7c5)cc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C60H34N2O3/c1-3-11-39(12-4-1)61-51-23-19-35(27-43(51)45-31-49-42-16-8-10-18-56(42)64-59(49)33-53(45)61)36-20-24-52-44(28-36)46-32-50-48-30-38(37-21-25-57-47(29-37)41-15-7-9-17-55(41)63-57)22-26-58(48)65-60(50)34-54(46)62(52)40-13-5-2-6-14-40/h1-34H
InChIKeyLPFQGWSZRMWYOS-UHFFFAOYSA-N
MW830.94 g/mol
LogP16.91
Rot. Bonds4

About 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223329) has the molecular formula C60H34N2O3 and a molecular weight of 830.94 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223329
Molecular FormulaC60H34N2O3
Molecular Weight830.94 g/mol
Exact Mass830.26
IUPAC Name2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccc(-c5ccc7oc8ccccc8c7c5)cc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C60H34N2O3/c1-3-11-39(12-4-1)61-51-23-19-35(27-43(51)45-31-49-42-16-8-10-18-56(42)64-59(49)33-53(45)61)36-20-24-52-44(28-36)46-32-50-48-30-38(37-21-25-57-47(29-37)41-15-7-9-17-55(41)63-57)22-26-58(48)65-60(50)34-54(46)62(52)40-13-5-2-6-14-40/h1-34H
InChIKeyLPFQGWSZRMWYOS-UHFFFAOYSA-N
XLogP16.91
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.94
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223329) is 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccc(-c5ccc7oc8ccccc8c7c5)cc46)cc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is LPFQGWSZRMWYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O3/c1-3-11-39(12-4-1)61-51-23-19-35(27-43(51)45-31-49-42-16-8-10-18-56(42)64-59(49)33-53(45)61)36-20-24-52-44(28-36)46-32-50-48-30-38(37-21-25-57-47(29-37)41-15-7-9-17-55(41)63-57)22-26-58(48)65-60(50)34-54(46)62(52)40-13-5-2-6-14-40/h1-34H.
What are the key properties of 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 830.94 g/mol, XLogP of 16.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).