2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole

C41H25N7S — CID 118300834

IUPAC2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5ncccn5)cc4c4ccc5c(c6ccc(-c7ncccn7)cc6n5-c5ccccc5)c43)s2)cc1
InChIInChI=1S/C41H25N7S/c1-3-9-26(10-4-1)41-46-25-36(49-41)48-33-17-14-27(39-42-19-7-20-43-39)23-32(33)30-16-18-34-37(38(30)48)31-15-13-28(40-44-21-8-22-45-40)24-35(31)47(34)29-11-5-2-6-12-29/h1-25H
InChIKeyBSHLAKJHDQJEBS-UHFFFAOYSA-N
MW647.77 g/mol
LogP9.92
Rot. Bonds5

About 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole

2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole (PubChem CID 118300834) has the molecular formula C41H25N7S and a molecular weight of 647.77 g/mol. Its IUPAC name is 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole
PubChem CID118300834
Molecular FormulaC41H25N7S
Molecular Weight647.77 g/mol
Exact Mass647.19
IUPAC Name2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5ncccn5)cc4c4ccc5c(c6ccc(-c7ncccn7)cc6n5-c5ccccc5)c43)s2)cc1
InChIInChI=1S/C41H25N7S/c1-3-9-26(10-4-1)41-46-25-36(49-41)48-33-17-14-27(39-42-19-7-20-43-39)23-32(33)30-16-18-34-37(38(30)48)31-15-13-28(40-44-21-8-22-45-40)24-35(31)47(34)29-11-5-2-6-12-29/h1-25H
InChIKeyBSHLAKJHDQJEBS-UHFFFAOYSA-N
XLogP9.92
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.77
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-(14-phenyl-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)-2-(3-pyrimidin-2-ylphenyl)-1,3-thiazole
CID 118300889
2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
CID 118300823
2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole
CID 118300821
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-phenyl-5-(5-pyridin-2-ylindolo[3,2-c]carbazol-12-yl)-1,3-thiazole
CID 118300801
2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
CID 118300893
5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole
CID 118300891
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
10,20-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,24-triphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 118473598

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole?
The IUPAC name of 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole (CID 118300834) is 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole is c1ccc(-c2ncc(-n3c4ccc(-c5ncccn5)cc4c4ccc5c(c6ccc(-c7ncccn7)cc6n5-c5ccccc5)c43)s2)cc1.
What is the InChIKey of 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole?
The InChIKey is BSHLAKJHDQJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N7S/c1-3-9-26(10-4-1)41-46-25-36(49-41)48-33-17-14-27(39-42-19-7-20-43-39)23-32(33)30-16-18-34-37(38(30)48)31-15-13-28(40-44-21-8-22-45-40)24-35(31)47(34)29-11-5-2-6-12-29/h1-25H.
What are the key properties of 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole?
2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole has a molecular weight of 647.77 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole is sourced from PubChem (CID 118300834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).