4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole

C39H25N3S — CID 118300793

IUPAC4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)sc2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3S/c1-4-14-26(15-5-1)36-38(27-16-6-2-7-17-27)43-39(40-36)42-33-23-13-11-21-31(33)35-34(42)25-24-30-29-20-10-12-22-32(29)41(37(30)35)28-18-8-3-9-19-28/h1-25H
InChIKeyFCCPHDNGNDWZMF-UHFFFAOYSA-N
MW567.72 g/mol
LogP10.67
Rot. Bonds4

About 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole

4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole (PubChem CID 118300793) has the molecular formula C39H25N3S and a molecular weight of 567.72 g/mol. Its IUPAC name is 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
PubChem CID118300793
Molecular FormulaC39H25N3S
Molecular Weight567.72 g/mol
Exact Mass567.18
IUPAC Name4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)sc2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3S/c1-4-14-26(15-5-1)36-38(27-16-6-2-7-17-27)43-39(40-36)42-33-23-13-11-21-31(33)35-34(42)25-24-30-29-20-10-12-22-32(29)41(37(30)35)28-18-8-3-9-19-28/h1-25H
InChIKeyFCCPHDNGNDWZMF-UHFFFAOYSA-N
XLogP10.67
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.72
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-oxazole
CID 118300800
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
11,12-diphenylindolo[2,3-i]phenanthridine
CID 129122135
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
5-(4-phenylphenyl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 135166213
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
The IUPAC name of 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole (CID 118300793) is 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole is c1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)sc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
The InChIKey is FCCPHDNGNDWZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3S/c1-4-14-26(15-5-1)36-38(27-16-6-2-7-17-27)43-39(40-36)42-33-23-13-11-21-31(33)35-34(42)25-24-30-29-20-10-12-22-32(29)41(37(30)35)28-18-8-3-9-19-28/h1-25H.
What are the key properties of 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole has a molecular weight of 567.72 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 118300793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).