2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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

C60H32F12N6 — CID 88895079

IUPAC2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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
SMILESFC(F)(F)c1ccc(-c2cc3nc4c(nc3cc2-c2ccc(C(F)(F)F)cc2)N(c2ccc3ccccc3c2)c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2N4c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H32F12N6/c61-57(62,63)41-19-9-35(10-20-41)47-31-49-50(32-48(47)36-11-21-42(22-12-36)58(64,65)66)74-54-53(73-49)77(45-27-17-33-5-1-3-7-39(33)29-45)55-56(78(54)46-28-18-34-6-2-4-8-40(34)30-46)76-52(38-15-25-44(26-16-38)60(70,71)72)51(75-55)37-13-23-43(24-14-37)59(67,68)69/h1-32H
InChIKeyLPVYCSKYCMKLGT-UHFFFAOYSA-N
MW1064.93 g/mol
LogP18.72
Rot. Bonds6

About 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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

2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 88895079) has the molecular formula C60H32F12N6 and a molecular weight of 1064.93 g/mol. Its IUPAC name is 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 Name2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 CID88895079
Molecular FormulaC60H32F12N6
Molecular Weight1064.93 g/mol
Exact Mass1064.25
IUPAC Name2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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
SMILESFC(F)(F)c1ccc(-c2cc3nc4c(nc3cc2-c2ccc(C(F)(F)F)cc2)N(c2ccc3ccccc3c2)c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2N4c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H32F12N6/c61-57(62,63)41-19-9-35(10-20-41)47-31-49-50(32-48(47)36-11-21-42(22-12-36)58(64,65)66)74-54-53(73-49)77(45-27-17-33-5-1-3-7-39(33)29-45)55-56(78(54)46-28-18-34-6-2-4-8-40(34)30-46)76-52(38-15-25-44(26-16-38)60(70,71)72)51(75-55)37-13-23-43(24-14-37)59(67,68)69/h1-32H
InChIKeyLPVYCSKYCMKLGT-UHFFFAOYSA-N
XLogP18.72
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.93
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 88895079) is 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 FC(F)(F)c1ccc(-c2cc3nc4c(nc3cc2-c2ccc(C(F)(F)F)cc2)N(c2ccc3ccccc3c2)c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2N4c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 LPVYCSKYCMKLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F12N6/c61-57(62,63)41-19-9-35(10-20-41)47-31-49-50(32-48(47)36-11-21-42(22-12-36)58(64,65)66)74-54-53(73-49)77(45-27-17-33-5-1-3-7-39(33)29-45)55-56(78(54)46-28-18-34-6-2-4-8-40(34)30-46)76-52(38-15-25-44(26-16-38)60(70,71)72)51(75-55)37-13-23-43(24-14-37)59(67,68)69/h1-32H.
What are the key properties of 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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?
2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 1064.93 g/mol, XLogP of 18.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dinaphthalen-2-yl-5,6,14,15-tetrakis[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 88895079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).