(Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine

C60H49N5 — CID 142385296

About (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine

(Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine (PubChem CID 142385296) has the molecular formula C60H49N5 and a molecular weight of 840.09 g/mol. Its IUPAC name is (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine
• PubChem CID: 142385296
• Molecular Formula: C60H49N5
• Molecular Weight: 840.09 g/mol
• Exact Mass: 839.40
• IUPAC Name: (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine
• SMILES: C/C=C\C.C1=CCCC=C1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccncc5)n4)c3)n2)cc1
• InChI: InChI=1S/C50H33N5.C6H8.C4H8/c1-4-15-34(16-5-1)47-53-48(35-17-6-2-7-18-35)55-49(54-47)37-20-12-19-36(33-37)44-27-14-28-45(52-44)41-24-13-26-43-46(41)40-23-10-11-25-42(40)50(43,38-21-8-3-9-22-38)39-29-31-51-32-30-39;1-2-4-6-5-3-1;1-3-4-2/h1-33H;1-4H,5-6H2;3-4H,1-2H3/b;;4-3-
• InChIKey: NCHFWXMRXXDYQH-PWIAZYAQSA-N
• XLogP: 14.83
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.09
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine?

The IUPAC name of (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine (CID 142385296) is (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine?

The canonical SMILES for (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine is C/C=C\C.C1=CCCC=C1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccncc5)n4)c3)n2)cc1.

What is the InChIKey of (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine?

The InChIKey is NCHFWXMRXXDYQH-PWIAZYAQSA-N. The full InChI is InChI=1S/C50H33N5.C6H8.C4H8/c1-4-15-34(16-5-1)47-53-48(35-17-6-2-7-18-35)55-49(54-47)37-20-12-19-36(33-37)44-27-14-28-45(52-44)41-24-13-26-43-46(41)40-23-10-11-25-42(40)50(43,38-21-8-3-9-22-38)39-29-31-51-32-30-39;1-2-4-6-5-3-1;1-3-4-2/h1-33H;1-4H,5-6H2;3-4H,1-2H3/b;;4-3-.

What are the key properties of (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine?

(Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine has a molecular weight of 840.09 g/mol, XLogP of 14.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 142385296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).