5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene

C60H38F6N6 — CID 58462209

IUPAC5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene
SMILESCc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(c2ccc4ccccc4c2)c2nc4cc(-c5ccc(C(F)(F)F)cc5)c(-c5ccc(C(F)(F)F)cc5)cc4nc2N3c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H38F6N6/c1-35-11-15-41(16-12-35)53-54(42-17-13-36(2)14-18-42)70-58-57(69-53)71(47-29-23-37-7-3-5-9-43(37)31-47)55-56(72(58)48-30-24-38-8-4-6-10-44(38)32-48)68-52-34-50(40-21-27-46(28-22-40)60(64,65)66)49(33-51(52)67-55)39-19-25-45(26-20-39)59(61,62)63/h3-34H,1-2H3
InChIKeyPJMUSJZMURQHBK-UHFFFAOYSA-N
MW956.99 g/mol
LogP17.30
Rot. Bonds6

About 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene

5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene (PubChem CID 58462209) has the molecular formula C60H38F6N6 and a molecular weight of 956.99 g/mol. Its IUPAC name is 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene.

Molecular Properties

Compound Name5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene
PubChem CID58462209
Molecular FormulaC60H38F6N6
Molecular Weight956.99 g/mol
Exact Mass956.31
IUPAC Name5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene
SMILESCc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(c2ccc4ccccc4c2)c2nc4cc(-c5ccc(C(F)(F)F)cc5)c(-c5ccc(C(F)(F)F)cc5)cc4nc2N3c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H38F6N6/c1-35-11-15-41(16-12-35)53-54(42-17-13-36(2)14-18-42)70-58-57(69-53)71(47-29-23-37-7-3-5-9-43(37)31-47)55-56(72(58)48-30-24-38-8-4-6-10-44(38)32-48)68-52-34-50(40-21-27-46(28-22-40)60(64,65)66)49(33-51(52)67-55)39-19-25-45(26-20-39)59(61,62)63/h3-34H,1-2H3
InChIKeyPJMUSJZMURQHBK-UHFFFAOYSA-N
XLogP17.30
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.99
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene?
The IUPAC name of 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene (CID 58462209) is 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene.
What is the SMILES notation for 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene?
The canonical SMILES for 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene is Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(c2ccc4ccccc4c2)c2nc4cc(-c5ccc(C(F)(F)F)cc5)c(-c5ccc(C(F)(F)F)cc5)cc4nc2N3c2ccc3ccccc3c2)cc1.
What is the InChIKey of 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene?
The InChIKey is PJMUSJZMURQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38F6N6/c1-35-11-15-41(16-12-35)53-54(42-17-13-36(2)14-18-42)70-58-57(69-53)71(47-29-23-37-7-3-5-9-43(37)31-47)55-56(72(58)48-30-24-38-8-4-6-10-44(38)32-48)68-52-34-50(40-21-27-46(28-22-40)60(64,65)66)49(33-51(52)67-55)39-19-25-45(26-20-39)59(61,62)63/h3-34H,1-2H3.
What are the key properties of 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene?
5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene has a molecular weight of 956.99 g/mol, XLogP of 17.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methylphenyl)-2,9-dinaphthalen-2-yl-14,15-bis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene is sourced from PubChem (CID 58462209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).