9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole

C50H31N3S — CID 147266430

IUPAC9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5S65c6ccccc6-c6ccccc65)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C50H31N3S/c1-2-14-32(15-3-1)49-39-20-4-9-21-42(39)51-50(52-49)53-43-22-10-5-16-35(43)40-30-33(26-28-44(40)53)34-27-29-48-41(31-34)38-19-8-13-25-47(38)54(48)45-23-11-6-17-36(45)37-18-7-12-24-46(37)54/h1-31H
InChIKeyCPOQPYIKWUCEBL-UHFFFAOYSA-N
MW705.89 g/mol
LogP13.36
Rot. Bonds3

About 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole

9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole (PubChem CID 147266430) has the molecular formula C50H31N3S and a molecular weight of 705.89 g/mol. Its IUPAC name is 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole
PubChem CID147266430
Molecular FormulaC50H31N3S
Molecular Weight705.89 g/mol
Exact Mass705.22
IUPAC Name9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5S65c6ccccc6-c6ccccc65)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C50H31N3S/c1-2-14-32(15-3-1)49-39-20-4-9-21-42(39)51-50(52-49)53-43-22-10-5-16-35(43)40-30-33(26-28-44(40)53)34-27-29-48-41(31-34)38-19-8-13-25-47(38)54(48)45-23-11-6-17-36(45)37-18-7-12-24-46(37)54/h1-31H
InChIKeyCPOQPYIKWUCEBL-UHFFFAOYSA-N
XLogP13.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.89
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)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

3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
CID 177109125
9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide
CID 162698999
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
3-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 130355722
2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene
CID 155614093
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole?
The IUPAC name of 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole (CID 147266430) is 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole.
What is the SMILES notation for 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole?
The canonical SMILES for 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5S65c6ccccc6-c6ccccc65)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole?
The InChIKey is CPOQPYIKWUCEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3S/c1-2-14-32(15-3-1)49-39-20-4-9-21-42(39)51-50(52-49)53-43-22-10-5-16-35(43)40-30-33(26-28-44(40)53)34-27-29-48-41(31-34)38-19-8-13-25-47(38)54(48)45-23-11-6-17-36(45)37-18-7-12-24-46(37)54/h1-31H.
What are the key properties of 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole?
9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole has a molecular weight of 705.89 g/mol, XLogP of 13.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole is sourced from PubChem (CID 147266430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).