5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole

C36H21N3S — CID 139361333

IUPAC5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3sc4ccccc4c23)nc2ccccc12
InChIInChI=1S/C36H21N3S/c1-2-11-23-21-31-28(20-22(23)10-1)24-12-4-7-17-30(24)39(31)36-25-13-3-6-16-29(25)37-35(38-36)27-15-9-19-33-34(27)26-14-5-8-18-32(26)40-33/h1-21H
InChIKeyJDCYFQWAZAYIMJ-UHFFFAOYSA-N
MW527.65 g/mol
LogP9.91
Rot. Bonds2

About 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole

5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole (PubChem CID 139361333) has the molecular formula C36H21N3S and a molecular weight of 527.65 g/mol. Its IUPAC name is 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
PubChem CID139361333
Molecular FormulaC36H21N3S
Molecular Weight527.65 g/mol
Exact Mass527.15
IUPAC Name5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3sc4ccccc4c23)nc2ccccc12
InChIInChI=1S/C36H21N3S/c1-2-11-23-21-31-28(20-22(23)10-1)24-12-4-7-17-30(24)39(31)36-25-13-3-6-16-29(25)37-35(38-36)27-15-9-19-33-34(27)26-14-5-8-18-32(26)40-33/h1-21H
InChIKeyJDCYFQWAZAYIMJ-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-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361804
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375280
5-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 166700651
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
12-[3-dibenzothiophen-1-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430828
5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
CID 164707669
5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
CID 162703781
5-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430251
5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163593137

Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole?
The IUPAC name of 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole (CID 139361333) is 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole?
The canonical SMILES for 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3sc4ccccc4c23)nc2ccccc12.
What is the InChIKey of 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole?
The InChIKey is JDCYFQWAZAYIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3S/c1-2-11-23-21-31-28(20-22(23)10-1)24-12-4-7-17-30(24)39(31)36-25-13-3-6-16-29(25)37-35(38-36)27-15-9-19-33-34(27)26-14-5-8-18-32(26)40-33/h1-21H.
What are the key properties of 5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole?
5-(2-dibenzothiophen-1-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-1-ylquinazolin-4-yl)benzo[b]carbazole is sourced from PubChem (CID 139361333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).