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

C48H28N2OS — CID 134223427

IUPAC7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-26-40-39-24-30(20-22-47(39)52-48(40)28-44(36)49)29-19-21-42-35(23-29)37-25-38-34-16-8-10-18-45(34)51-46(38)27-43(37)50(42)32-13-5-2-6-14-32/h1-28H
InChIKeyLPISYTANPAQZSV-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

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

7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223427) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223427
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-26-40-39-24-30(20-22-47(39)52-48(40)28-44(36)49)29-19-21-42-35(23-29)37-25-38-34-16-8-10-18-45(34)51-46(38)27-43(37)50(42)32-13-5-2-6-14-32/h1-28H
InChIKeyLPISYTANPAQZSV-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223427) is 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5sc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)cc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is LPISYTANPAQZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-26-40-39-24-30(20-22-47(39)52-48(40)28-44(36)49)29-19-21-42-35(23-29)37-25-38-34-16-8-10-18-45(34)51-46(38)27-43(37)50(42)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 680.83 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).