18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene

C39H22N4O2 — CID 118634797

IUPAC18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C39H22N4O2/c1-3-13-23(14-4-1)37-40-38(24-15-5-2-6-16-24)42-39(41-37)43-28-20-10-7-17-25(28)33-34(43)36-32(27-19-9-12-22-30(27)45-36)31-26-18-8-11-21-29(26)44-35(31)33/h1-22H
InChIKeyAJULTIRNLSMNOM-UHFFFAOYSA-N
MW578.63 g/mol
LogP10.10
Rot. Bonds3

About 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene

18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene (PubChem CID 118634797) has the molecular formula C39H22N4O2 and a molecular weight of 578.63 g/mol. Its IUPAC name is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene.

Molecular Properties

Compound Name18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
PubChem CID118634797
Molecular FormulaC39H22N4O2
Molecular Weight578.63 g/mol
Exact Mass578.17
IUPAC Name18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C39H22N4O2/c1-3-13-23(14-4-1)37-40-38(24-15-5-2-6-16-24)42-39(41-37)43-28-20-10-7-17-25(28)33-34(43)36-32(27-19-9-12-22-30(27)45-36)31-26-18-8-11-21-29(26)44-35(31)33/h1-22H
InChIKeyAJULTIRNLSMNOM-UHFFFAOYSA-N
XLogP10.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.63
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

24-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593233
18-phenyl-9-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634547
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634436
24-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593181
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]carbazole
CID 134252545
5-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252535
12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359261
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422

Frequently Asked Questions

What is the IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene?
The IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene (CID 118634797) is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene.
What is the SMILES notation for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene?
The canonical SMILES for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6oc5c43)n2)cc1.
What is the InChIKey of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene?
The InChIKey is AJULTIRNLSMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4O2/c1-3-13-23(14-4-1)37-40-38(24-15-5-2-6-16-24)42-39(41-37)43-28-20-10-7-17-25(28)33-34(43)36-32(27-19-9-12-22-30(27)45-36)31-26-18-8-11-21-29(26)44-35(31)33/h1-22H.
What are the key properties of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene?
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene has a molecular weight of 578.63 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene is sourced from PubChem (CID 118634797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).