5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole

C61H36F18N4 — CID 143295848

About 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole

5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 143295848) has the molecular formula C61H36F18N4 and a molecular weight of 1166.95 g/mol. Its IUPAC name is 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole
• PubChem CID: 143295848
• Molecular Formula: C61H36F18N4
• Molecular Weight: 1166.95 g/mol
• Exact Mass: 1166.27
• IUPAC Name: 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole
• SMILES: Cc1cc(C(F)(F)F)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7C6=CCC(C)(c7c(C(F)(F)F)cc(C)cc7C(F)(F)F)C=C6)cc5C(F)(F)F)ccc43)cc2)c(C(F)(F)F)c1
• InChI: InChI=1S/C61H36F18N4/c1-30-20-45(58(68,69)70)53(46(21-30)59(71,72)73)32-4-8-35(9-5-32)82-49-10-6-33(24-39(49)41-28-80-18-14-51(41)82)37-26-44(57(65,66)67)38(27-43(37)56(62,63)64)34-7-11-50-40(25-34)42-29-81-19-15-52(42)83(50)36-12-16-55(3,17-13-36)54-47(60(74,75)76)22-31(2)23-48(54)61(77,78)79/h4-16,18-29H,17H2,1-3H3
• InChIKey: CRWBACSVRJKFBB-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.95
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole (CID 143295848) is 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole is Cc1cc(C(F)(F)F)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7C6=CCC(C)(c7c(C(F)(F)F)cc(C)cc7C(F)(F)F)C=C6)cc5C(F)(F)F)ccc43)cc2)c(C(F)(F)F)c1.

What is the InChIKey of 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole?

The InChIKey is CRWBACSVRJKFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36F18N4/c1-30-20-45(58(68,69)70)53(46(21-30)59(71,72)73)32-4-8-35(9-5-32)82-49-10-6-33(24-39(49)41-28-80-18-14-51(41)82)37-26-44(57(65,66)67)38(27-43(37)56(62,63)64)34-7-11-50-40(25-34)42-29-81-19-15-52(42)83(50)36-12-16-55(3,17-13-36)54-47(60(74,75)76)22-31(2)23-48(54)61(77,78)79/h4-16,18-29H,17H2,1-3H3.

What are the key properties of 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole?

5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 1166.95 g/mol, XLogP of 20.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-methyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 143295848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).