11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole

C38H23N3S — CID 147747131

IUPAC11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)ccc3n2)cc1
InChIInChI=1S/C38H23N3S/c1-3-11-24(12-4-1)37-31-21-26(19-20-32(31)39-38(40-37)25-13-5-2-6-14-25)41-33-17-9-7-15-27(33)29-23-36-30(22-34(29)41)28-16-8-10-18-35(28)42-36/h1-23H
InChIKeyHBMOEKXBARFYDC-UHFFFAOYSA-N
MW553.69 g/mol
LogP10.43
Rot. Bonds3

About 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole

11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 147747131) has the molecular formula C38H23N3S and a molecular weight of 553.69 g/mol. Its IUPAC name is 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID147747131
Molecular FormulaC38H23N3S
Molecular Weight553.69 g/mol
Exact Mass553.16
IUPAC Name11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)ccc3n2)cc1
InChIInChI=1S/C38H23N3S/c1-3-11-24(12-4-1)37-31-21-26(19-20-32(31)39-38(40-37)25-13-5-2-6-14-25)41-33-17-9-7-15-27(33)29-23-36-30(22-34(29)41)28-16-8-10-18-35(28)42-36/h1-23H
InChIKeyHBMOEKXBARFYDC-UHFFFAOYSA-N
XLogP10.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 126630744
3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole
CID 126632050
11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 157341243
11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 90211229
7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole
CID 154952453
3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159010
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
11-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-b]carbazole
CID 164730389
9-[3-[2,6-bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[4-[4-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]carbazole
CID 160894019
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472

Frequently Asked Questions

What is the IUPAC name of 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole (CID 147747131) is 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)ccc3n2)cc1.
What is the InChIKey of 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is HBMOEKXBARFYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3S/c1-3-11-24(12-4-1)37-31-21-26(19-20-32(31)39-38(40-37)25-13-5-2-6-14-25)41-33-17-9-7-15-27(33)29-23-36-30(22-34(29)41)28-16-8-10-18-35(28)42-36/h1-23H.
What are the key properties of 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole?
11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 553.69 g/mol, XLogP of 10.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 147747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).