5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole

C36H21N3S — CID 139361804

IUPAC5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c(c2)sc2ccccc23)nc2ccccc12
InChIInChI=1S/C36H21N3S/c1-2-10-23-20-32-29(19-22(23)9-1)25-11-4-7-15-31(25)39(32)36-28-13-3-6-14-30(28)37-35(38-36)24-17-18-27-26-12-5-8-16-33(26)40-34(27)21-24/h1-21H
InChIKeyXKOKYFKUZNDZBX-UHFFFAOYSA-N
MW527.65 g/mol
LogP9.91
Rot. Bonds2

About 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole

5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole (PubChem CID 139361804) has the molecular formula C36H21N3S and a molecular weight of 527.65 g/mol. Its IUPAC name is 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
PubChem CID139361804
Molecular FormulaC36H21N3S
Molecular Weight527.65 g/mol
Exact Mass527.15
IUPAC Name5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c(c2)sc2ccccc23)nc2ccccc12
InChIInChI=1S/C36H21N3S/c1-2-10-23-20-32-29(19-22(23)9-1)25-11-4-7-15-31(25)39(32)36-28-13-3-6-14-30(28)37-35(38-36)24-17-18-27-26-12-5-8-16-33(26)40-34(27)21-24/h1-21H
InChIKeyXKOKYFKUZNDZBX-UHFFFAOYSA-N
XLogP9.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361333
5-[2-dibenzothiophen-3-yl-4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475053
9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375377
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 139361418
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375186
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884

Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole?
The IUPAC name of 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole (CID 139361804) is 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole?
The canonical SMILES for 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c(c2)sc2ccccc23)nc2ccccc12.
What is the InChIKey of 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole?
The InChIKey is XKOKYFKUZNDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3S/c1-2-10-23-20-32-29(19-22(23)9-1)25-11-4-7-15-31(25)39(32)36-28-13-3-6-14-30(28)37-35(38-36)24-17-18-27-26-12-5-8-16-33(26)40-34(27)21-24/h1-21H.
What are the key properties of 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole?
5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole has a molecular weight of 527.65 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole is sourced from PubChem (CID 139361804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).