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

C60H38F12N4 — CID 58401848

IUPAC5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESCc1cc(C)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C)ccc43)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C60H38F12N4/c1-31-21-33(3)55(49(22-31)59(67,68)69)35-5-11-40(12-6-35)75-51-15-9-37(25-44(51)46-29-73-19-17-53(46)75)42-28-48(58(64,65)66)43(24-32(42)2)38-10-16-52-45(26-38)47-30-74-20-18-54(47)76(52)41-13-7-36(8-14-41)56-34(4)23-39(57(61,62)63)27-50(56)60(70,71)72/h5-30H,1-4H3
InChIKeyQBCGVJPFGOYXMX-UHFFFAOYSA-N
MW1042.97 g/mol
LogP18.65
Rot. Bonds6

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

5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 58401848) has the molecular formula C60H38F12N4 and a molecular weight of 1042.97 g/mol. Its IUPAC name is 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
PubChem CID58401848
Molecular FormulaC60H38F12N4
Molecular Weight1042.97 g/mol
Exact Mass1042.29
IUPAC Name5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESCc1cc(C)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C)ccc43)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C60H38F12N4/c1-31-21-33(3)55(49(22-31)59(67,68)69)35-5-11-40(12-6-35)75-51-15-9-37(25-44(51)46-29-73-19-17-53(46)75)42-28-48(58(64,65)66)43(24-32(42)2)38-10-16-52-45(26-38)47-30-74-20-18-54(47)76(52)41-13-7-36(8-14-41)56-34(4)23-39(57(61,62)63)27-50(56)60(70,71)72/h5-30H,1-4H3
InChIKeyQBCGVJPFGOYXMX-UHFFFAOYSA-N
XLogP18.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.97
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (CID 58401848) is 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is Cc1cc(C)c(-c2ccc(-n3c4ccncc4c4cc(-c5cc(C(F)(F)F)c(-c6ccc7c(c6)c6cnccc6n7-c6ccc(-c7c(C)cc(C(F)(F)F)cc7C(F)(F)F)cc6)cc5C)ccc43)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The InChIKey is QBCGVJPFGOYXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38F12N4/c1-31-21-33(3)55(49(22-31)59(67,68)69)35-5-11-40(12-6-35)75-51-15-9-37(25-44(51)46-29-73-19-17-53(46)75)42-28-48(58(64,65)66)43(24-32(42)2)38-10-16-52-45(26-38)47-30-74-20-18-54(47)76(52)41-13-7-36(8-14-41)56-34(4)23-39(57(61,62)63)27-50(56)60(70,71)72/h5-30H,1-4H3.
What are the key properties of 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 1042.97 g/mol, XLogP of 18.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 58401848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).