19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene

C43H33N5O — CID 123484406

About 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene

19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene (PubChem CID 123484406) has the molecular formula C43H33N5O and a molecular weight of 635.77 g/mol. Its IUPAC name is 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene.

Molecular Properties

• Compound Name: 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene
• PubChem CID: 123484406
• Molecular Formula: C43H33N5O
• Molecular Weight: 635.77 g/mol
• Exact Mass: 635.27
• IUPAC Name: 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene
• SMILES: C1=CCCC(C2C=C(c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cn6c7c(oc6c54)C=CCC7)n3)C=CC2)=C1
• InChI: InChI=1S/C43H33N5O/c1-3-13-28(14-4-1)30-17-11-19-32(25-30)40-44-41(33-20-12-18-31(26-33)29-15-5-2-6-16-29)46-43(45-40)48-36-22-8-7-21-34(36)35-27-47-37-23-9-10-24-38(37)49-42(47)39(35)48/h1-5,7-8,10-15,17,19-22,24-27,31H,6,9,16,18,23H2
• InChIKey: JHOAXAGNZNPSBI-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 61.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.77
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene?

The IUPAC name of 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene (CID 123484406) is 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene.

What is the SMILES notation for 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene?

The canonical SMILES for 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene is C1=CCCC(C2C=C(c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cn6c7c(oc6c54)C=CCC7)n3)C=CC2)=C1.

What is the InChIKey of 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene?

The InChIKey is JHOAXAGNZNPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5O/c1-3-13-28(14-4-1)30-17-11-19-32(25-30)40-44-41(33-20-12-18-31(26-33)29-15-5-2-6-16-29)46-43(45-40)48-36-22-8-7-21-34(36)35-27-47-37-23-9-10-24-38(37)49-42(47)39(35)48/h1-5,7-8,10-15,17,19-22,24-27,31H,6,9,16,18,23H2.

What are the key properties of 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene?

19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene has a molecular weight of 635.77 g/mol, XLogP of 10.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(3-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-10,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,11,13,15,17-heptaene is sourced from PubChem (CID 123484406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).