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

C60H26F24N4 — CID 59344193

IUPAC8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C(F)(F)F)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C(F)(F)F)ccc43)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C60H26F24N4/c61-53(62,63)31-19-43(57(73,74)75)51(44(20-31)58(76,77)78)27-1-7-33(8-2-27)87-47-11-5-29(17-37(47)39-25-85-15-13-49(39)87)35-23-42(56(70,71)72)36(24-41(35)55(67,68)69)30-6-12-48-38(18-30)40-26-86-16-14-50(40)88(48)34-9-3-28(4-10-34)52-45(59(79,80)81)21-32(54(64,65)66)22-46(52)60(82,83)84/h1-26H
InChIKeyNWVVRBRGZUNKQT-UHFFFAOYSA-N
MW1258.85 g/mol
LogP21.49
Rot. Bonds6

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

8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole (PubChem CID 59344193) has the molecular formula C60H26F24N4 and a molecular weight of 1258.85 g/mol. Its IUPAC name is 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole
PubChem CID59344193
Molecular FormulaC60H26F24N4
Molecular Weight1258.85 g/mol
Exact Mass1258.18
IUPAC Name8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C(F)(F)F)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C(F)(F)F)ccc43)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C60H26F24N4/c61-53(62,63)31-19-43(57(73,74)75)51(44(20-31)58(76,77)78)27-1-7-33(8-2-27)87-47-11-5-29(17-37(47)39-25-85-15-13-49(39)87)35-23-42(56(70,71)72)36(24-41(35)55(67,68)69)30-6-12-48-38(18-30)40-26-86-16-14-50(40)88(48)34-9-3-28(4-10-34)52-45(59(79,80)81)21-32(54(64,65)66)22-46(52)60(82,83)84/h1-26H
InChIKeyNWVVRBRGZUNKQT-UHFFFAOYSA-N
XLogP21.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.85
LogP ≤ 521.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole (CID 59344193) is 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole is FC(F)(F)c1cc(C(F)(F)F)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C(F)(F)F)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C(F)(F)F)ccc43)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole?
The InChIKey is NWVVRBRGZUNKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H26F24N4/c61-53(62,63)31-19-43(57(73,74)75)51(44(20-31)58(76,77)78)27-1-7-33(8-2-27)87-47-11-5-29(17-37(47)39-25-85-15-13-49(39)87)35-23-42(56(70,71)72)36(24-41(35)55(67,68)69)30-6-12-48-38(18-30)40-26-86-16-14-50(40)88(48)34-9-3-28(4-10-34)52-45(59(79,80)81)21-32(54(64,65)66)22-46(52)60(82,83)84/h1-26H.
What are the key properties of 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole?
8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 1258.85 g/mol, XLogP of 21.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,5-bis(trifluoromethyl)-4-[5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59344193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).