11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole

C126H81N9S3 — CID 165071486

IUPAC11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc(-c5c6ccccc6n6c5sc5ccccc56)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5c6ccccc6n6c5sc5ccccc56)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c6ccccc6n6c5sc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/3C42H27N3S/c1-3-13-28(14-4-1)35-27-36(44-41(43-35)29-15-5-2-6-16-29)32-19-11-17-30(25-32)31-18-12-20-33(26-31)40-34-21-7-8-22-37(34)45-38-23-9-10-24-39(38)46-42(40)45;1-3-12-29(13-4-1)35-27-36(44-41(43-35)31-14-5-2-6-15-31)33-17-11-16-32(26-33)28-22-24-30(25-23-28)40-34-18-7-8-19-37(34)45-38-20-9-10-21-39(38)46-42(40)45;1-3-12-29(13-4-1)35-27-36(44-41(43-35)31-14-5-2-6-15-31)30-24-22-28(23-25-30)32-16-11-17-33(26-32)40-34-18-7-8-19-37(34)45-38-20-9-10-21-39(38)46-42(40)45/h3*1-27H
InChIKeySVONRHBFZJGVEX-UHFFFAOYSA-N
MW1817.30 g/mol
LogP34.30
Rot. Bonds15

About 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole

11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole (PubChem CID 165071486) has the molecular formula C126H81N9S3 and a molecular weight of 1817.30 g/mol. Its IUPAC name is 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
PubChem CID165071486
Molecular FormulaC126H81N9S3
Molecular Weight1817.30 g/mol
Exact Mass1815.58
IUPAC Name11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc(-c5c6ccccc6n6c5sc5ccccc56)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5c6ccccc6n6c5sc5ccccc56)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c6ccccc6n6c5sc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/3C42H27N3S/c1-3-13-28(14-4-1)35-27-36(44-41(43-35)29-15-5-2-6-16-29)32-19-11-17-30(25-32)31-18-12-20-33(26-31)40-34-21-7-8-22-37(34)45-38-23-9-10-24-39(38)46-42(40)45;1-3-12-29(13-4-1)35-27-36(44-41(43-35)31-14-5-2-6-15-31)33-17-11-16-32(26-33)28-22-24-30(25-23-28)40-34-18-7-8-19-37(34)45-38-20-9-10-21-39(38)46-42(40)45;1-3-12-29(13-4-1)35-27-36(44-41(43-35)31-14-5-2-6-15-31)30-24-22-28(23-25-30)32-16-11-17-33(26-32)40-34-18-7-8-19-37(34)45-38-20-9-10-21-39(38)46-42(40)45/h3*1-27H
InChIKeySVONRHBFZJGVEX-UHFFFAOYSA-N
XLogP34.30
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001817.30
LogP ≤ 534.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole with MolForge

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Related Compounds

11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782376
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782301
11-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782499
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-1-ylindolo[2,1-b][1,3]benzothiazole
CID 164782437
11-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782396
11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782249
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782495
4-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176758762
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
4-(2,6-diphenylpyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 159186734
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160765748
3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 177079001

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The IUPAC name of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole (CID 165071486) is 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole is c1ccc(-c2cc(-c3ccc(-c4cccc(-c5c6ccccc6n6c5sc5ccccc56)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5c6ccccc6n6c5sc5ccccc56)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c6ccccc6n6c5sc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The InChIKey is SVONRHBFZJGVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H27N3S/c1-3-13-28(14-4-1)35-27-36(44-41(43-35)29-15-5-2-6-16-29)32-19-11-17-30(25-32)31-18-12-20-33(26-31)40-34-21-7-8-22-37(34)45-38-23-9-10-24-39(38)46-42(40)45;1-3-12-29(13-4-1)35-27-36(44-41(43-35)31-14-5-2-6-15-31)33-17-11-16-32(26-33)28-22-24-30(25-23-28)40-34-18-7-8-19-37(34)45-38-20-9-10-21-39(38)46-42(40)45;1-3-12-29(13-4-1)35-27-36(44-41(43-35)31-14-5-2-6-15-31)30-24-22-28(23-25-30)32-16-11-17-33(26-32)40-34-18-7-8-19-37(34)45-38-20-9-10-21-39(38)46-42(40)45/h3*1-27H.
What are the key properties of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole has a molecular weight of 1817.30 g/mol, XLogP of 34.30, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 165071486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).