5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole

C37H23N5S — CID 118300891

IUPAC5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole
SMILESc1ccc(-c2ncc(-c3ncc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)s3)cn2)cc1
InChIInChI=1S/C37H23N5S/c1-3-11-24(12-4-1)36-38-21-25(22-39-36)37-40-23-33(43-37)42-32-18-10-8-16-28(32)30-20-19-29-27-15-7-9-17-31(27)41(34(29)35(30)42)26-13-5-2-6-14-26/h1-23H
InChIKeyBEKPKWPOZGOCOH-UHFFFAOYSA-N
MW569.69 g/mol
LogP9.46
Rot. Bonds4

About 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole

5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole (PubChem CID 118300891) has the molecular formula C37H23N5S and a molecular weight of 569.69 g/mol. Its IUPAC name is 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole
PubChem CID118300891
Molecular FormulaC37H23N5S
Molecular Weight569.69 g/mol
Exact Mass569.17
IUPAC Name5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole
SMILESc1ccc(-c2ncc(-c3ncc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)s3)cn2)cc1
InChIInChI=1S/C37H23N5S/c1-3-11-24(12-4-1)36-38-21-25(22-39-36)37-40-23-33(43-37)42-32-18-10-8-16-28(32)30-20-19-29-27-15-7-9-17-31(27)41(34(29)35(30)42)26-13-5-2-6-14-26/h1-23H
InChIKeyBEKPKWPOZGOCOH-UHFFFAOYSA-N
XLogP9.46
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.69
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
CID 118300823
2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
CID 118300893
2-phenyl-5-(14-pyridin-4-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-nonaen-9-yl)-1,3-thiazole;2-phenyl-5-(11-pyridin-4-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole;2-phenyl-5-(7-pyridin-4-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
CID 158030519
2-(4-carbazol-9-ylphenyl)-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-(3-carbazol-9-ylphenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3-thiazole;2-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
CID 162230367
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
12-[2,6-bis(2-phenylpyrimidin-5-yl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;11-(4-carbazol-9-ylphenyl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;12-[2-(3-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 159564532
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,6,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 139524740
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole
CID 118300834
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
2-phenyl-5-(5-pyridin-2-ylindolo[3,2-c]carbazol-12-yl)-1,3-thiazole
CID 118300801

Frequently Asked Questions

What is the IUPAC name of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole?
The IUPAC name of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole (CID 118300891) is 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole?
The canonical SMILES for 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole is c1ccc(-c2ncc(-c3ncc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)s3)cn2)cc1.
What is the InChIKey of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole?
The InChIKey is BEKPKWPOZGOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5S/c1-3-11-24(12-4-1)36-38-21-25(22-39-36)37-40-23-33(43-37)42-32-18-10-8-16-28(32)30-20-19-29-27-15-7-9-17-31(27)41(34(29)35(30)42)26-13-5-2-6-14-26/h1-23H.
What are the key properties of 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole?
5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole has a molecular weight of 569.69 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole is sourced from PubChem (CID 118300891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).