2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole

C43H27N5S — CID 118300823

IUPAC2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)s2)cc1
InChIInChI=1S/C43H27N5S/c1-3-11-28(12-4-1)43-46-27-40(49-43)48-39-22-18-30(37-16-8-10-24-45-37)26-35(39)33-20-19-32-34-25-29(36-15-7-9-23-44-36)17-21-38(34)47(41(32)42(33)48)31-13-5-2-6-14-31/h1-27H
InChIKeyCWMCTCXIGBVPNA-UHFFFAOYSA-N
MW645.79 g/mol
LogP11.13
Rot. Bonds5

About 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole

2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole (PubChem CID 118300823) has the molecular formula C43H27N5S and a molecular weight of 645.79 g/mol. Its IUPAC name is 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
PubChem CID118300823
Molecular FormulaC43H27N5S
Molecular Weight645.79 g/mol
Exact Mass645.20
IUPAC Name2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)s2)cc1
InChIInChI=1S/C43H27N5S/c1-3-11-28(12-4-1)43-46-27-40(49-43)48-39-22-18-30(37-16-8-10-24-45-37)26-35(39)33-20-19-32-34-25-29(36-15-7-9-23-44-36)17-21-38(34)47(41(32)42(33)48)31-13-5-2-6-14-31/h1-27H
InChIKeyCWMCTCXIGBVPNA-UHFFFAOYSA-N
XLogP11.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.79
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole
CID 118300834
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane
CID 143865156
2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole
CID 118300821
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
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
5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole
CID 118300891
2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
CID 118300843
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(3-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 160982500
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
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
CID 118300893
12-(2,6-diphenyl-4-pyridinyl)-3,8-diphenyl-11-pyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-di(pyrimidin-2-yl)indolo[2,3-a]carbazole
CID 159021773

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
The IUPAC name of 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole (CID 118300823) is 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole is c1ccc(-c2ncc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)s2)cc1.
What is the InChIKey of 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
The InChIKey is CWMCTCXIGBVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5S/c1-3-11-28(12-4-1)43-46-27-40(49-43)48-39-22-18-30(37-16-8-10-24-45-37)26-35(39)33-20-19-32-34-25-29(36-15-7-9-23-44-36)17-21-38(34)47(41(32)42(33)48)31-13-5-2-6-14-31/h1-27H.
What are the key properties of 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole has a molecular weight of 645.79 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole is sourced from PubChem (CID 118300823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).