3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene

C53H40N6 — CID 129268906

About 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene

3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene (PubChem CID 129268906) has the molecular formula C53H40N6 and a molecular weight of 760.95 g/mol. Its IUPAC name is 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene.

Molecular Properties

• Compound Name: 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene
• PubChem CID: 129268906
• Molecular Formula: C53H40N6
• Molecular Weight: 760.95 g/mol
• Exact Mass: 760.33
• IUPAC Name: 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene
• SMILES: C1=Cc2c(c3c(c4ccccc24)N(c2ccccc2)C(c2ccc(-c4ccc(C5=NC(c6ccc(-c7ccccc7)cc6)N=C(c6ccccc6)N5)cc4)cc2)N3)CN1
• InChI: InChI=1S/C53H40N6/c1-4-12-35(13-5-1)36-20-26-40(27-21-36)51-56-50(39-14-6-2-7-15-39)57-52(58-51)41-28-22-37(23-29-41)38-24-30-42(31-25-38)53-55-48-47-34-54-33-32-45(47)44-18-10-11-19-46(44)49(48)59(53)43-16-8-3-9-17-43/h1-33,51,53-55H,34H2,(H,56,57,58)
• InChIKey: XBZCEYHEBOFKDL-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 64.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.95
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene?

The IUPAC name of 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene (CID 129268906) is 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene.

What is the SMILES notation for 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene?

The canonical SMILES for 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene is C1=Cc2c(c3c(c4ccccc24)N(c2ccccc2)C(c2ccc(-c4ccc(C5=NC(c6ccc(-c7ccccc7)cc6)N=C(c6ccccc6)N5)cc4)cc2)N3)CN1.

What is the InChIKey of 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene?

The InChIKey is XBZCEYHEBOFKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N6/c1-4-12-35(13-5-1)36-20-26-40(27-21-36)51-56-50(39-14-6-2-7-15-39)57-52(58-51)41-28-22-37(23-29-41)38-24-30-42(31-25-38)53-55-48-47-34-54-33-32-45(47)44-18-10-11-19-46(44)49(48)59(53)43-16-8-3-9-17-43/h1-33,51,53-55H,34H2,(H,56,57,58).

What are the key properties of 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene?

3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene has a molecular weight of 760.95 g/mol, XLogP of 12.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-4-[4-[4-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),10,13,15-hexaene is sourced from PubChem (CID 129268906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).