2,9-dinaphthalen-1-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 88895077

IUPAC2,9-dinaphthalen-1-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(c2cccc3ccccc23)c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2N4c2cccc3ccccc23)cc1
InChIInChI=1S/C60H32F12N6/c61-57(62,63)39-23-15-35(16-24-39)45-31-47-48(32-46(45)36-17-25-40(26-18-36)58(64,65)66)74-54-53(73-47)77(49-13-5-9-33-7-1-3-11-43(33)49)55-56(78(54)50-14-6-10-34-8-2-4-12-44(34)50)76-52(38-21-29-42(30-22-38)60(70,71)72)51(75-55)37-19-27-41(28-20-37)59(67,68)69/h1-32H
InChIKeyCGSSUIJPKGRZFI-UHFFFAOYSA-N
MW1064.93 g/mol
LogP18.72
Rot. Bonds6

About 2,9-dinaphthalen-1-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-1-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 88895077) has the molecular formula C60H32F12N6 and a molecular weight of 1064.93 g/mol. Its IUPAC name is 2,9-dinaphthalen-1-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-1-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 CID88895077
Molecular FormulaC60H32F12N6
Molecular Weight1064.93 g/mol
Exact Mass1064.25
IUPAC Name2,9-dinaphthalen-1-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(c2cccc3ccccc23)c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2N4c2cccc3ccccc23)cc1
InChIInChI=1S/C60H32F12N6/c61-57(62,63)39-23-15-35(16-24-39)45-31-47-48(32-46(45)36-17-25-40(26-18-36)58(64,65)66)74-54-53(73-47)77(49-13-5-9-33-7-1-3-11-43(33)49)55-56(78(54)50-14-6-10-34-8-2-4-12-44(34)50)76-52(38-21-29-42(30-22-38)60(70,71)72)51(75-55)37-19-27-41(28-20-37)59(67,68)69/h1-32H
InChIKeyCGSSUIJPKGRZFI-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-1-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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Related Compounds

7-methyl-2,13-dinaphthalen-1-yl-18-(trifluoromethyl)-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5(10),6,8,11,14,16(21),17,19-decaene
CID 58462179
7-methyl-2,13-dinaphthalen-1-yl-19-(trifluoromethyl)-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5(10),6,8,11,14,16(21),17,19-decaene
CID 58462211
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
4,10-bis[4-(trifluoromethyl)phenyl]pyrene
CID 122550344
5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
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CID 59282523
1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
CID 59470271
3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
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CID 86233116

Frequently Asked Questions

What is the IUPAC name of 2,9-dinaphthalen-1-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-1-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 88895077) is 2,9-dinaphthalen-1-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-1-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-1-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(c2cccc3ccccc23)c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2N4c2cccc3ccccc23)cc1.
What is the InChIKey of 2,9-dinaphthalen-1-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 CGSSUIJPKGRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F12N6/c61-57(62,63)39-23-15-35(16-24-39)45-31-47-48(32-46(45)36-17-25-40(26-18-36)58(64,65)66)74-54-53(73-47)77(49-13-5-9-33-7-1-3-11-43(33)49)55-56(78(54)50-14-6-10-34-8-2-4-12-44(34)50)76-52(38-21-29-42(30-22-38)60(70,71)72)51(75-55)37-19-27-41(28-20-37)59(67,68)69/h1-32H.
What are the key properties of 2,9-dinaphthalen-1-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-1-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-1-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 88895077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).