20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

C37H23N7 — CID 139524711

IUPAC20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccnc4c4ncc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C37H23N7/c1-4-13-24(14-5-1)35-40-36(25-15-6-2-7-16-25)42-37(41-35)44-29-21-12-22-38-32(29)33-34(44)31-27-19-10-11-20-28(27)43(30(31)23-39-33)26-17-8-3-9-18-26/h1-23H
InChIKeyNUAYOPICPAWNLU-UHFFFAOYSA-N
MW565.64 g/mol
LogP8.19
Rot. Bonds4

About 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (PubChem CID 139524711) has the molecular formula C37H23N7 and a molecular weight of 565.64 g/mol. Its IUPAC name is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
PubChem CID139524711
Molecular FormulaC37H23N7
Molecular Weight565.64 g/mol
Exact Mass565.20
IUPAC Name20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccnc4c4ncc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C37H23N7/c1-4-13-24(14-5-1)35-40-36(25-15-6-2-7-16-25)42-37(41-35)44-29-21-12-22-38-32(29)33-34(44)31-27-19-10-11-20-28(27)43(30(31)23-39-33)26-17-8-3-9-18-26/h1-23H
InChIKeyNUAYOPICPAWNLU-UHFFFAOYSA-N
XLogP8.19
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
20-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 163677077
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene
CID 121400448
14-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138640774
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[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 58142309
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-diphenyl-9,16,18,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 138640119
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
8-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848500
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170255512
10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 129141718
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286

Frequently Asked Questions

What is the IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (CID 139524711) is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.
What is the SMILES notation for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The canonical SMILES for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccnc4c4ncc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The InChIKey is NUAYOPICPAWNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N7/c1-4-13-24(14-5-1)35-40-36(25-15-6-2-7-16-25)42-37(41-35)44-29-21-12-22-38-32(29)33-34(44)31-27-19-10-11-20-28(27)43(30(31)23-39-33)26-17-8-3-9-18-26/h1-23H.
What are the key properties of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene has a molecular weight of 565.64 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is sourced from PubChem (CID 139524711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).