5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole

C52H32F6N4 — CID 142502095

About 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole

5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 142502095) has the molecular formula C52H32F6N4 and a molecular weight of 826.84 g/mol. Its IUPAC name is 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 142502095
• Molecular Formula: C52H32F6N4
• Molecular Weight: 826.84 g/mol
• Exact Mass: 826.25
• IUPAC Name: 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
• SMILES: Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5C)c43)c12
• InChI: InChI=1S/C52H32F6N4/c1-59-39-18-7-5-16-35(39)47-43(59)24-22-33-31-14-3-9-20-41(31)61(49(33)47)45-27-37(29-12-11-13-30(26-29)51(53,54)55)38(52(56,57)58)28-46(45)62-42-21-10-4-15-32(42)34-23-25-44-48(50(34)62)36-17-6-8-19-40(36)60(44)2/h3-28H,1-2H3
• InChIKey: YGKPAYMPHOBXLH-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.84
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole (CID 142502095) is 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole is Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5C)c43)c12.

What is the InChIKey of 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole?

The InChIKey is YGKPAYMPHOBXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F6N4/c1-59-39-18-7-5-16-35(39)47-43(59)24-22-33-31-14-3-9-20-41(31)61(49(33)47)45-27-37(29-12-11-13-30(26-29)51(53,54)55)38(52(56,57)58)28-46(45)62-42-21-10-4-15-32(42)34-23-25-44-48(50(34)62)36-17-6-8-19-40(36)60(44)2/h3-28H,1-2H3.

What are the key properties of 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole?

5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 826.84 g/mol, XLogP of 14.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 142502095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).