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

C60H32F18N4 — CID 143291576

IUPAC5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESCc1cc(C(F)(F)F)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C(F)(F)F)cc(C)cc7C(F)(F)F)cc6)cc5C(F)(F)F)ccc43)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C60H32F18N4/c1-29-19-45(57(67,68)69)53(46(20-29)58(70,71)72)31-3-9-35(10-4-31)81-49-13-7-33(23-39(49)41-27-79-17-15-51(41)81)37-25-44(56(64,65)66)38(26-43(37)55(61,62)63)34-8-14-50-40(24-34)42-28-80-18-16-52(42)82(50)36-11-5-32(6-12-36)54-47(59(73,74)75)21-30(2)22-48(54)60(76,77)78/h3-28H,1-2H3
InChIKeyBVXGVXKGMOQTST-UHFFFAOYSA-N
MW1150.91 g/mol
LogP20.07
Rot. Bonds6

About 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]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-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 143291576) has the molecular formula C60H32F18N4 and a molecular weight of 1150.91 g/mol. Its IUPAC name is 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole
PubChem CID143291576
Molecular FormulaC60H32F18N4
Molecular Weight1150.91 g/mol
Exact Mass1150.23
IUPAC Name5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESCc1cc(C(F)(F)F)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C(F)(F)F)cc(C)cc7C(F)(F)F)cc6)cc5C(F)(F)F)ccc43)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C60H32F18N4/c1-29-19-45(57(67,68)69)53(46(20-29)58(70,71)72)31-3-9-35(10-4-31)81-49-13-7-33(23-39(49)41-27-79-17-15-51(41)81)37-25-44(56(64,65)66)38(26-43(37)55(61,62)63)34-8-14-50-40(24-34)42-28-80-18-16-52(42)82(50)36-11-5-32(6-12-36)54-47(59(73,74)75)21-30(2)22-48(54)60(76,77)78/h3-28H,1-2H3
InChIKeyBVXGVXKGMOQTST-UHFFFAOYSA-N
XLogP20.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.91
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]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-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole (CID 143291576) is 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]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-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]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-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]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)c6cnccc6n7-c6ccc(-c7c(C(F)(F)F)cc(C)cc7C(F)(F)F)cc6)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-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The InChIKey is BVXGVXKGMOQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F18N4/c1-29-19-45(57(67,68)69)53(46(20-29)58(70,71)72)31-3-9-35(10-4-31)81-49-13-7-33(23-39(49)41-27-79-17-15-51(41)81)37-25-44(56(64,65)66)38(26-43(37)55(61,62)63)34-8-14-50-40(24-34)42-28-80-18-16-52(42)82(50)36-11-5-32(6-12-36)54-47(59(73,74)75)21-30(2)22-48(54)60(76,77)78/h3-28H,1-2H3.
What are the key properties of 5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]-8-[4-[5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]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-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 1150.91 g/mol, XLogP of 20.07, 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-[4-methyl-2,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-2,5-bis(trifluoromethyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 143291576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).