5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole

C46H27N3S — CID 139362260

IUPAC5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc4ccccc34)ccc2c1
InChIInChI=1S/C46H27N3S/c1-2-11-29-27-42-39(26-28(29)10-1)34-12-4-7-18-41(34)49(42)33-23-22-30-24-32(21-20-31(30)25-33)44-37-14-3-6-17-40(37)47-46(48-44)38-16-9-15-36-35-13-5-8-19-43(35)50-45(36)38/h1-27H
InChIKeyUZYGBLUNCUAUSI-UHFFFAOYSA-N
MW653.81 g/mol
LogP12.74
Rot. Bonds3

About 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole

5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 139362260) has the molecular formula C46H27N3S and a molecular weight of 653.81 g/mol. Its IUPAC name is 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID139362260
Molecular FormulaC46H27N3S
Molecular Weight653.81 g/mol
Exact Mass653.19
IUPAC Name5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc4ccccc34)ccc2c1
InChIInChI=1S/C46H27N3S/c1-2-11-29-27-42-39(26-28(29)10-1)34-12-4-7-18-41(34)49(42)33-23-22-30-24-32(21-20-31(30)25-33)44-37-14-3-6-17-40(37)47-46(48-44)38-16-9-15-36-35-13-5-8-19-43(35)50-45(36)38/h1-27H
InChIKeyUZYGBLUNCUAUSI-UHFFFAOYSA-N
XLogP12.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.81
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]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

9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375377
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375598
9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375186
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621277
9-benzo[b]carbazol-5-yl-5-(4-dibenzothiophen-4-ylquinazolin-2-yl)benzo[b]carbazole;9-benzo[b]carbazol-5-yl-5-[4-(9,9-dimethylfluoren-1-yl)quinazolin-2-yl]benzo[b]carbazole;9-benzo[b]carbazol-5-yl-5-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
CID 159019157
3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 161474425
12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163995982
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9-naphthalen-2-ylcarbazole
CID 163886851
5-[3-dibenzofuran-2-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430641

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole (CID 139362260) is 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc4ccccc34)ccc2c1.
What is the InChIKey of 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is UZYGBLUNCUAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3S/c1-2-11-29-27-42-39(26-28(29)10-1)34-12-4-7-18-41(34)49(42)33-23-22-30-24-32(21-20-31(30)25-33)44-37-14-3-6-17-40(37)47-46(48-44)38-16-9-15-36-35-13-5-8-19-43(35)50-45(36)38/h1-27H.
What are the key properties of 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 653.81 g/mol, XLogP of 12.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139362260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).