7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C102H68N6S2 — CID 158781059

About 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 158781059) has the molecular formula C102H68N6S2 and a molecular weight of 1441.84 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 158781059
• Molecular Formula: C102H68N6S2
• Molecular Weight: 1441.84 g/mol
• Exact Mass: 1440.49
• IUPAC Name: 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc6ccccc56)c5sc6ccccc6c5c4)c3cc21
• InChI: InChI=1S/C55H37N3S.C47H31N3S/c1-55(2)46-25-12-9-22-39(46)43-31-44-40-23-10-13-26-50(40)58(51(44)32-47(43)55)38-29-42(53-45(30-38)41-24-11-14-27-52(41)59-53)36-20-15-21-37(28-36)54-56-48(34-16-5-3-6-17-34)33-49(57-54)35-18-7-4-8-19-35;1-47(2)38-20-10-6-16-30(38)34-26-35-31-17-8-12-22-41(31)50(42(35)27-39(34)47)29-24-36-32-18-9-13-23-43(32)51-45(36)37(25-29)44-33-19-7-11-21-40(33)48-46(49-44)28-14-4-3-5-15-28/h3-33H,1-2H3;3-27H,1-2H3
• InChIKey: IRBWJCUYEJZILI-UHFFFAOYSA-N
• XLogP: 27.65
• TPSA: 61.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1441.84
LogP ≤ 5	27.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The IUPAC name of 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 158781059) is 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

What is the SMILES notation for 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The canonical SMILES for 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc6ccccc56)c5sc6ccccc6c5c4)c3cc21.

What is the InChIKey of 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The InChIKey is IRBWJCUYEJZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3S.C47H31N3S/c1-55(2)46-25-12-9-22-39(46)43-31-44-40-23-10-13-26-50(40)58(51(44)32-47(43)55)38-29-42(53-45(30-38)41-24-11-14-27-52(41)59-53)36-20-15-21-37(28-36)54-56-48(34-16-5-3-6-17-34)33-49(57-54)35-18-7-4-8-19-35;1-47(2)38-20-10-6-16-30(38)34-26-35-31-17-8-12-22-41(31)50(42(35)27-39(34)47)29-24-36-32-18-9-13-23-43(32)51-45(36)37(25-29)44-33-19-7-11-21-40(33)48-46(49-44)28-14-4-3-5-15-28/h3-33H,1-2H3;3-27H,1-2H3.

What are the key properties of 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1441.84 g/mol, XLogP of 27.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 158781059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).