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

C43H32N4 — CID 144645233

IUPAC15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2ccc3ccc4c5c(ccc4c32)C(C)(C)c2ccccc2-5)c1
InChIInChI=1S/C43H32N4/c1-27-24-31(42-45-40(29-12-6-4-7-13-29)44-41(46-42)30-14-8-5-9-15-30)26-32(25-27)47-23-22-28-18-19-33-34(39(28)47)20-21-37-38(33)35-16-10-11-17-36(35)43(37,2)3/h4-26H,1-3H3
InChIKeySGELWVMPIWSDNT-UHFFFAOYSA-N
MW604.76 g/mol
LogP10.58
Rot. Bonds4

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

15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (PubChem CID 144645233) has the molecular formula C43H32N4 and a molecular weight of 604.76 g/mol. Its IUPAC name is 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.

Molecular Properties

Compound Name15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
PubChem CID144645233
Molecular FormulaC43H32N4
Molecular Weight604.76 g/mol
Exact Mass604.26
IUPAC Name15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2ccc3ccc4c5c(ccc4c32)C(C)(C)c2ccccc2-5)c1
InChIInChI=1S/C43H32N4/c1-27-24-31(42-45-40(29-12-6-4-7-13-29)44-41(46-42)30-14-8-5-9-15-30)26-32(25-27)47-23-22-28-18-19-33-34(39(28)47)20-21-37-38(33)35-16-10-11-17-36(35)43(37,2)3/h4-26H,1-3H3
InChIKeySGELWVMPIWSDNT-UHFFFAOYSA-N
XLogP10.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.76
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-12-phenyl-12,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,21]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(21),19,22-undecaene
CID 90223034
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836
2-[3-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164721430
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122464806
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-dibenzofuran-3-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-phenyl-1,3,5-triazine
CID 164721515
2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 159386432

Frequently Asked Questions

What is the IUPAC name of 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The IUPAC name of 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (CID 144645233) is 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.
What is the SMILES notation for 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The canonical SMILES for 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2ccc3ccc4c5c(ccc4c32)C(C)(C)c2ccccc2-5)c1.
What is the InChIKey of 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The InChIKey is SGELWVMPIWSDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4/c1-27-24-31(42-45-40(29-12-6-4-7-13-29)44-41(46-42)30-14-8-5-9-15-30)26-32(25-27)47-23-22-28-18-19-33-34(39(28)47)20-21-37-38(33)35-16-10-11-17-36(35)43(37,2)3/h4-26H,1-3H3.
What are the key properties of 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene has a molecular weight of 604.76 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is sourced from PubChem (CID 144645233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).