8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene

C34H26N6 — CID 129311301

IUPAC8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene
SMILESC1=CC2N=C3c4ccccc4N(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc4N3C2C=C1
InChIInChI=1S/C34H26N6/c1-3-13-23(14-4-1)31-36-32(24-15-5-2-6-16-24)38-34(37-31)40-27-19-9-7-17-25(27)33-35-26-18-8-10-20-28(26)39(33)29-21-11-12-22-30(29)40/h1-22,26,28,31H,(H,36,37,38)
InChIKeyFMNHOHFOQSDTRP-UHFFFAOYSA-N
MW518.62 g/mol
LogP6.37
Rot. Bonds2

About 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene

8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene (PubChem CID 129311301) has the molecular formula C34H26N6 and a molecular weight of 518.62 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene
PubChem CID129311301
Molecular FormulaC34H26N6
Molecular Weight518.62 g/mol
Exact Mass518.22
IUPAC Name8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene
SMILESC1=CC2N=C3c4ccccc4N(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc4N3C2C=C1
InChIInChI=1S/C34H26N6/c1-3-13-23(14-4-1)31-36-32(24-15-5-2-6-16-24)38-34(37-31)40-27-19-9-7-17-25(27)33-35-26-18-8-10-20-28(26)39(33)29-21-11-12-22-30(29)40/h1-22,26,28,31H,(H,36,37,38)
InChIKeyFMNHOHFOQSDTRP-UHFFFAOYSA-N
XLogP6.37
TPSA55.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene with MolForge

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Related Compounds

5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 123991546
12-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-6b,10a-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 144564741
2-(2-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126727956
9-[9-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]-4a,9a-dihydrocarbazole
CID 166962602
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647
6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
CID 121336184
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 134416527
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139314718
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene?
The IUPAC name of 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene (CID 129311301) is 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene.
What is the SMILES notation for 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene?
The canonical SMILES for 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene is C1=CC2N=C3c4ccccc4N(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc4N3C2C=C1.
What is the InChIKey of 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene?
The InChIKey is FMNHOHFOQSDTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N6/c1-3-13-23(14-4-1)31-36-32(24-15-5-2-6-16-24)38-34(37-31)40-27-19-9-7-17-25(27)33-35-26-18-8-10-20-28(26)39(33)29-21-11-12-22-30(29)40/h1-22,26,28,31H,(H,36,37,38).
What are the key properties of 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene?
8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene has a molecular weight of 518.62 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene is sourced from PubChem (CID 129311301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).