10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene

C28H18N6 — CID 149444858

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccn3ccnc43)n2)cc1
InChIInChI=1S/C28H18N6/c1-3-9-19(10-4-1)25-30-26(20-11-5-2-6-12-20)32-28(31-25)34-22-14-8-7-13-21(22)24-23(34)15-17-33-18-16-29-27(24)33/h1-18H
InChIKeyYWMGAWNRCQYUDH-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.95
Rot. Bonds3

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene (PubChem CID 149444858) has the molecular formula C28H18N6 and a molecular weight of 438.49 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene
PubChem CID149444858
Molecular FormulaC28H18N6
Molecular Weight438.49 g/mol
Exact Mass438.16
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccn3ccnc43)n2)cc1
InChIInChI=1S/C28H18N6/c1-3-9-19(10-4-1)25-30-26(20-11-5-2-6-12-20)32-28(31-25)34-22-14-8-7-13-21(22)24-23(34)15-17-33-18-16-29-27(24)33/h1-18H
InChIKeyYWMGAWNRCQYUDH-UHFFFAOYSA-N
XLogP5.95
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene 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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-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 166563611
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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-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 140937273
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
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
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-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 169037238
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-(3-phenylphenyl)-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 156554565
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,9-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155153308
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-(6-phenyl-2-pyridinyl)-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 118504570

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene (CID 149444858) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccn3ccnc43)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene?
The InChIKey is YWMGAWNRCQYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N6/c1-3-9-19(10-4-1)25-30-26(20-11-5-2-6-12-20)32-28(31-25)34-22-14-8-7-13-21(22)24-23(34)15-17-33-18-16-29-27(24)33/h1-18H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene has a molecular weight of 438.49 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11,13,15-heptaene is sourced from PubChem (CID 149444858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).