19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene

C38H26N4O — CID 71023311

IUPAC19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene
SMILESCC1(C)c2oc3ccccc3c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cccc1c32
InChIInChI=1S/C38H26N4O/c1-38(2)29-18-11-17-26-28-22-25(20-21-30(28)42(32(26)29)33-27-16-9-10-19-31(27)43-34(33)38)37-40-35(23-12-5-3-6-13-23)39-36(41-37)24-14-7-4-8-15-24/h3-22H,1-2H3
InChIKeyKQOWSKDCDXFBTN-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.36
Rot. Bonds3

About 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene

19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene (PubChem CID 71023311) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene.

Molecular Properties

Compound Name19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene
PubChem CID71023311
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene
SMILESCC1(C)c2oc3ccccc3c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cccc1c32
InChIInChI=1S/C38H26N4O/c1-38(2)29-18-11-17-26-28-22-25(20-21-30(28)42(32(26)29)33-27-16-9-10-19-31(27)43-34(33)38)37-40-35(23-12-5-3-6-13-23)39-36(41-37)24-14-7-4-8-15-24/h3-22H,1-2H3
InChIKeyKQOWSKDCDXFBTN-UHFFFAOYSA-N
XLogP9.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene?
The IUPAC name of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene (CID 71023311) is 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene.
What is the SMILES notation for 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene?
The canonical SMILES for 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene is CC1(C)c2oc3ccccc3c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cccc1c32.
What is the InChIKey of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene?
The InChIKey is KQOWSKDCDXFBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-38(2)29-18-11-17-26-28-22-25(20-21-30(28)42(32(26)29)33-27-16-9-10-19-31(27)43-34(33)38)37-40-35(23-12-5-3-6-13-23)39-36(41-37)24-14-7-4-8-15-24/h3-22H,1-2H3.
What are the key properties of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene?
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene has a molecular weight of 554.65 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-oxa-1-azahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaene is sourced from PubChem (CID 71023311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).