3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole

C42H25N3S — CID 131979734

IUPAC3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4c5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5ccc43)ncc2c1
InChIInChI=1S/C42H25N3S/c1-4-13-36-30(8-1)25-43-42(44-36)45-37-14-5-2-10-35(37)40-31-22-20-28(24-29(31)21-23-38(40)45)26-16-18-27(19-17-26)32-11-7-12-34-33-9-3-6-15-39(33)46-41(32)34/h1-25H
InChIKeyJZZSJMOPFFAQLB-UHFFFAOYSA-N
MW603.75 g/mol
LogP11.58
Rot. Bonds3

About 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole

3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole (PubChem CID 131979734) has the molecular formula C42H25N3S and a molecular weight of 603.75 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
PubChem CID131979734
Molecular FormulaC42H25N3S
Molecular Weight603.75 g/mol
Exact Mass603.18
IUPAC Name3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4c5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5ccc43)ncc2c1
InChIInChI=1S/C42H25N3S/c1-4-13-36-30(8-1)25-43-42(44-36)45-37-14-5-2-10-35(37)40-31-22-20-28(24-29(31)21-23-38(40)45)26-16-18-27(19-17-26)32-11-7-12-34-33-9-3-6-15-39(33)46-41(32)34/h1-25H
InChIKeyJZZSJMOPFFAQLB-UHFFFAOYSA-N
XLogP11.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-dibenzothiophen-2-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979732
2-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 159438708
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979722
2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979695
2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 131979694
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
7-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]benzo[c]carbazole;7-(4-dibenzothiophen-4-ylquinolin-2-yl)benzo[c]carbazole
CID 158854201
3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
CID 159101464
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;10-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;24-(7-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 163583703
3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159551431

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
The IUPAC name of 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole (CID 131979734) is 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole.
What is the SMILES notation for 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
The canonical SMILES for 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole is c1ccc2nc(-n3c4ccccc4c4c5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5ccc43)ncc2c1.
What is the InChIKey of 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
The InChIKey is JZZSJMOPFFAQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3S/c1-4-13-36-30(8-1)25-43-42(44-36)45-37-14-5-2-10-35(37)40-31-22-20-28(24-29(31)21-23-38(40)45)26-16-18-27(19-17-26)32-11-7-12-34-33-9-3-6-15-39(33)46-41(32)34/h1-25H.
What are the key properties of 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole has a molecular weight of 603.75 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole is sourced from PubChem (CID 131979734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).