7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

C54H30N2O2S — CID 134223320

IUPAC7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4cccc5c4sc4ccccc45)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C54H30N2O2S/c1-2-11-33(12-3-1)55-44-23-21-31(25-38(44)40-27-42-34-13-4-7-18-49(34)57-51(42)29-47(40)55)32-22-24-45-39(26-32)41-28-43-35-14-5-8-19-50(35)58-52(43)30-48(41)56(45)46-17-10-16-37-36-15-6-9-20-53(36)59-54(37)46/h1-30H
InChIKeyUWOLNAJRXMYEFC-UHFFFAOYSA-N
MW770.91 g/mol
LogP15.71
Rot. Bonds3

About 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223320) has the molecular formula C54H30N2O2S and a molecular weight of 770.91 g/mol. Its IUPAC name is 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223320
Molecular FormulaC54H30N2O2S
Molecular Weight770.91 g/mol
Exact Mass770.20
IUPAC Name7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4cccc5c4sc4ccccc45)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C54H30N2O2S/c1-2-11-33(12-3-1)55-44-23-21-31(25-38(44)40-27-42-34-13-4-7-18-49(34)57-51(42)29-47(40)55)32-22-24-45-39(26-32)41-28-43-35-14-5-8-19-50(35)58-52(43)30-48(41)56(45)46-17-10-16-37-36-15-6-9-20-53(36)59-54(37)46/h1-30H
InChIKeyUWOLNAJRXMYEFC-UHFFFAOYSA-N
XLogP15.71
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.91
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223320) is 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4cccc5c4sc4ccccc45)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is UWOLNAJRXMYEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N2O2S/c1-2-11-33(12-3-1)55-44-23-21-31(25-38(44)40-27-42-34-13-4-7-18-49(34)57-51(42)29-47(40)55)32-22-24-45-39(26-32)41-28-43-35-14-5-8-19-50(35)58-52(43)30-48(41)56(45)46-17-10-16-37-36-15-6-9-20-53(36)59-54(37)46/h1-30H.
What are the key properties of 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 770.91 g/mol, XLogP of 15.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).