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

C50H29N3OS — CID 67701050

IUPAC3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5ccc6c7ccccc7sc6c54)nc4ccccc34)c2)cc1
InChIInChI=1S/C50H29N3OS/c1-2-11-30(12-3-1)31-13-10-14-34(27-31)47-39-17-4-7-18-42(39)51-50(52-47)53-43-25-21-32(33-22-26-45-41(29-33)35-15-5-8-19-44(35)54-45)28-40(43)37-23-24-38-36-16-6-9-20-46(36)55-49(38)48(37)53/h1-29H
InChIKeyVSKYFMKPPRNNRZ-UHFFFAOYSA-N
MW719.87 g/mol
LogP14.00
Rot. Bonds4

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

3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 67701050) has the molecular formula C50H29N3OS and a molecular weight of 719.87 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID67701050
Molecular FormulaC50H29N3OS
Molecular Weight719.87 g/mol
Exact Mass719.20
IUPAC Name3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5ccc6c7ccccc7sc6c54)nc4ccccc34)c2)cc1
InChIInChI=1S/C50H29N3OS/c1-2-11-30(12-3-1)31-13-10-14-34(27-31)47-39-17-4-7-18-42(39)51-50(52-47)53-43-25-21-32(33-22-26-45-41(29-33)35-15-5-8-19-44(35)54-45)28-40(43)37-23-24-38-36-16-6-9-20-46(36)55-49(38)48(37)53/h1-29H
InChIKeyVSKYFMKPPRNNRZ-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-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[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

Related Compounds

12-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
CID 71291224
2-Dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
CID 90129255
3-Dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
CID 90129267
9-[4-[6-[4-(7-Fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 117659684
3-Dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
CID 117880973
3-Dibenzofuran-2-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
CID 117880997
7-[4-[2-(3-Dibenzofuran-2-ylcarbazol-9-yl)quinazolin-4-yl]phenyl]-10-fluorobenzo[c]carbazole
CID 117881005
3-(4-Dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
CID 118067268
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276701
18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
3-[9-(9-Phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole
CID 138475054
4-Dibenzofuran-2-yl-6-dibenzothiophen-3-yl-2-(7-fluorodibenzothiophen-3-yl)pyrimidine
CID 138736622

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole (CID 67701050) is 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3nc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5ccc6c7ccccc7sc6c54)nc4ccccc34)c2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is VSKYFMKPPRNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3OS/c1-2-11-30(12-3-1)31-13-10-14-34(27-31)47-39-17-4-7-18-42(39)51-50(52-47)53-43-25-21-32(33-22-26-45-41(29-33)35-15-5-8-19-44(35)54-45)28-40(43)37-23-24-38-36-16-6-9-20-46(36)55-49(38)48(37)53/h1-29H.
What are the key properties of 3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
3-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[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-dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 67701050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).