12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine

C182H122F3N11OS — CID 157288939

About 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine

12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine (PubChem CID 157288939) has the molecular formula C182H122F3N11OS and a molecular weight of 2568.11 g/mol. Its IUPAC name is 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine
• PubChem CID: 157288939
• Molecular Formula: C182H122F3N11OS
• Molecular Weight: 2568.11 g/mol
• Exact Mass: 2565.95
• IUPAC Name: 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)n5)c4)c3c21.FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)n5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
• InChI: InChI=1S/C51H33F3N2.C49H35N3.C41H27N3O.C41H27N3S/c52-51(53,54)42-30-28-35(29-31-42)34-20-22-36(23-21-34)43-32-33-44(46-19-11-10-18-45(43)46)37-24-26-41(27-25-37)50-55-48(39-14-6-2-7-15-39)47(38-12-4-1-5-13-38)49(56-50)40-16-8-3-9-17-40;1-49(2)41-27-14-12-25-37(41)39-29-30-40-38-26-13-15-28-42(38)52(47(40)44(39)49)36-24-16-23-35(31-36)48-50-45(33-19-8-4-9-20-33)43(32-17-6-3-7-18-32)46(51-48)34-21-10-5-11-22-34;2*1-4-12-30(13-5-1)37-38(31-14-6-2-7-15-31)43-40(44-39(37)32-16-8-3-9-17-32)33-24-20-28(21-25-33)29-22-26-34(27-23-29)41-42-35-18-10-11-19-36(35)45-41/h1-33H;3-31H,1-2H3;2*1-27H
• InChIKey: BAOKZZTVONFZDE-UHFFFAOYSA-N
• XLogP: 48.57
• TPSA: 146.97 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2568.11
LogP ≤ 5	48.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine?

The IUPAC name of 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine (CID 157288939) is 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine.

What is the SMILES notation for 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine?

The canonical SMILES for 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)n5)c4)c3c21.FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)n5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.

What is the InChIKey of 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine?

The InChIKey is BAOKZZTVONFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33F3N2.C49H35N3.C41H27N3O.C41H27N3S/c52-51(53,54)42-30-28-35(29-31-42)34-20-22-36(23-21-34)43-32-33-44(46-19-11-10-18-45(43)46)37-24-26-41(27-25-37)50-55-48(39-14-6-2-7-15-39)47(38-12-4-1-5-13-38)49(56-50)40-16-8-3-9-17-40;1-49(2)41-27-14-12-25-37(41)39-29-30-40-38-26-13-15-28-42(38)52(47(40)44(39)49)36-24-16-23-35(31-36)48-50-45(33-19-8-4-9-20-33)43(32-17-6-3-7-18-32)46(51-48)34-21-10-5-11-22-34;2*1-4-12-30(13-5-1)37-38(31-14-6-2-7-15-31)43-40(44-39(37)32-16-8-3-9-17-32)33-24-20-28(21-25-33)29-22-26-34(27-23-29)41-42-35-18-10-11-19-36(35)45-41/h1-33H;3-31H,1-2H3;2*1-27H.

What are the key properties of 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine?

12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine has a molecular weight of 2568.11 g/mol, XLogP of 48.57, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine is sourced from PubChem (CID 157288939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).