8-[2-methyl-5-(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

C60H29F21N4 — CID 58939538

IUPAC8-[2-methyl-5-(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
SMILESCc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)c(C(F)(F)F)cc1-c1ccc2c(c1)c1cnccc1n2-c1ccc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C60H29F21N4/c1-28-18-38(32-7-13-49-40(20-32)42-27-83-17-15-51(42)85(49)36-10-4-30(5-11-36)53-46(59(76,77)78)23-34(55(64,65)66)24-47(53)60(79,80)81)43(56(67,68)69)25-37(28)31-6-12-48-39(19-31)41-26-82-16-14-50(41)84(48)35-8-2-29(3-9-35)52-44(57(70,71)72)21-33(54(61,62)63)22-45(52)58(73,74)75/h2-27H,1H3
InChIKeyZGATXGMSXICMOQ-UHFFFAOYSA-N
MW1204.88 g/mol
LogP20.78
Rot. Bonds6

About 8-[2-methyl-5-(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-methyl-5-(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 58939538) has the molecular formula C60H29F21N4 and a molecular weight of 1204.88 g/mol. Its IUPAC name is 8-[2-methyl-5-(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-methyl-5-(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 CID58939538
Molecular FormulaC60H29F21N4
Molecular Weight1204.88 g/mol
Exact Mass1204.21
IUPAC Name8-[2-methyl-5-(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
SMILESCc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)c(C(F)(F)F)cc1-c1ccc2c(c1)c1cnccc1n2-c1ccc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C60H29F21N4/c1-28-18-38(32-7-13-49-40(20-32)42-27-83-17-15-51(42)85(49)36-10-4-30(5-11-36)53-46(59(76,77)78)23-34(55(64,65)66)24-47(53)60(79,80)81)43(56(67,68)69)25-37(28)31-6-12-48-39(19-31)41-26-82-16-14-50(41)84(48)35-8-2-29(3-9-35)52-44(57(70,71)72)21-33(54(61,62)63)22-45(52)58(73,74)75/h2-27H,1H3
InChIKeyZGATXGMSXICMOQ-UHFFFAOYSA-N
XLogP20.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.88
LogP ≤ 520.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-methyl-5-(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-methyl-5-(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-methyl-5-(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 58939538) is 8-[2-methyl-5-(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-methyl-5-(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-methyl-5-(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 Cc1cc(-c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3c(C(F)(F)F)cc(C(F)(F)F)cc3C(F)(F)F)cc2)c(C(F)(F)F)cc1-c1ccc2c(c1)c1cnccc1n2-c1ccc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of 8-[2-methyl-5-(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 ZGATXGMSXICMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H29F21N4/c1-28-18-38(32-7-13-49-40(20-32)42-27-83-17-15-51(42)85(49)36-10-4-30(5-11-36)53-46(59(76,77)78)23-34(55(64,65)66)24-47(53)60(79,80)81)43(56(67,68)69)25-37(28)31-6-12-48-39(19-31)41-26-82-16-14-50(41)84(48)35-8-2-29(3-9-35)52-44(57(70,71)72)21-33(54(61,62)63)22-45(52)58(73,74)75/h2-27H,1H3.
What are the key properties of 8-[2-methyl-5-(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-methyl-5-(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 1204.88 g/mol, XLogP of 20.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-5-(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 58939538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).