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

C38H23F3N6 — CID 58462211

IUPAC7-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
SMILESCc1ccc2nc3c(nc2c1)N(c1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2nc1N3c1cccc2ccccc12
InChIInChI=1S/C38H23F3N6/c1-22-16-18-28-30(20-22)44-36-34(42-28)46(32-14-6-10-23-8-2-4-12-26(23)32)35-37(45-31-21-25(38(39,40)41)17-19-29(31)43-35)47(36)33-15-7-11-24-9-3-5-13-27(24)33/h2-21H,1H3
InChIKeyIUAYANXZMWVECB-UHFFFAOYSA-N
MW620.64 g/mol
LogP10.46
Rot. Bonds2

About 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

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 (PubChem CID 58462211) has the molecular formula C38H23F3N6 and a molecular weight of 620.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID58462211
Molecular FormulaC38H23F3N6
Molecular Weight620.64 g/mol
Exact Mass620.19
IUPAC Name7-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
SMILESCc1ccc2nc3c(nc2c1)N(c1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2nc1N3c1cccc2ccccc12
InChIInChI=1S/C38H23F3N6/c1-22-16-18-28-30(20-22)44-36-34(42-28)46(32-14-6-10-23-8-2-4-12-26(23)32)35-37(45-31-21-25(38(39,40)41)17-19-29(31)43-35)47(36)33-15-7-11-24-9-3-5-13-27(24)33/h2-21H,1H3
InChIKeyIUAYANXZMWVECB-UHFFFAOYSA-N
XLogP10.46
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.64
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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
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
16-methyl-6,27-bis(trifluoromethyl)-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene
CID 126608669
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iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol
CID 25032913
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CID 175350348
12-(trifluoromethyl)-1,9,16-triazaoctacyclo[16.10.1.02,7.03,27.08,17.010,15.022,29.023,28]nonacosa-2,4,6,8,10(15),11,13,16,18,20,22(29),23(28),24,26-tetradecaene
CID 164673252
(1S,8S,15R,19S)-4-tert-butyl-17-naphthalen-1-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
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3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1-naphthalen-1-ylimidazolidine-2,4-dione
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2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
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CID 10596297

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2nc3c(nc2c1)N(c1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2nc1N3c1cccc2ccccc12.
What is the InChIKey of 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?
The InChIKey is IUAYANXZMWVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F3N6/c1-22-16-18-28-30(20-22)44-36-34(42-28)46(32-14-6-10-23-8-2-4-12-26(23)32)35-37(45-31-21-25(38(39,40)41)17-19-29(31)43-35)47(36)33-15-7-11-24-9-3-5-13-27(24)33/h2-21H,1H3.
What are the key properties of 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?
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 has a molecular weight of 620.64 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58462211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).