3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole

C50H29N3OS — CID 67700895

IUPAC3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ccc6c7ccccc7oc6c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H29N3OS/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)47-39-14-4-7-15-42(39)51-50(52-47)53-43-26-22-33(34-23-27-46-41(29-34)36-13-6-9-17-45(36)55-46)28-40(43)37-24-25-38-35-12-5-8-16-44(35)54-49(38)48(37)53/h1-29H
InChIKeyWPXKSTVGLHIZMO-UHFFFAOYSA-N
MW719.87 g/mol
LogP14.00
Rot. Bonds4

About 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole

3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 67700895) has the molecular formula C50H29N3OS and a molecular weight of 719.87 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID67700895
Molecular FormulaC50H29N3OS
Molecular Weight719.87 g/mol
Exact Mass719.20
IUPAC Name3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ccc6c7ccccc7oc6c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H29N3OS/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)47-39-14-4-7-15-42(39)51-50(52-47)53-43-26-22-33(34-23-27-46-41(29-34)36-13-6-9-17-45(36)55-46)28-40(43)37-24-25-38-35-12-5-8-16-44(35)54-49(38)48(37)53/h1-29H
InChIKeyWPXKSTVGLHIZMO-UHFFFAOYSA-N
XLogP14.00
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.87
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 67700895) is 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ccc6c7ccccc7oc6c54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is WPXKSTVGLHIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3OS/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)47-39-14-4-7-15-42(39)51-50(52-47)53-43-26-22-33(34-23-27-46-41(29-34)36-13-6-9-17-45(36)55-46)28-40(43)37-24-25-38-35-12-5-8-16-44(35)54-49(38)48(37)53/h1-29H.
What are the key properties of 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 719.87 g/mol, XLogP of 14.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 67700895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).