2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C55H37N3 — CID 135245202

About 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 135245202) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 135245202
• Molecular Formula: C55H37N3
• Molecular Weight: 739.92 g/mol
• Exact Mass: 739.30
• IUPAC Name: 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: C=CC1=C(/C=C\C)c2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2C12c1ccccc1-c1c2c2ccccc2c2ccccc12
• InChI: InChI=1S/C55H37N3/c1-3-20-44-46(4-2)55(47-33-18-17-31-45(47)50-41-28-14-11-25-37(41)38-26-12-15-29-42(38)51(50)55)48-34-19-32-40(49(44)48)39-27-13-16-30-43(39)54-57-52(35-21-7-5-8-22-35)56-53(58-54)36-23-9-6-10-24-36/h3-34H,2H2,1H3/b20-3-
• InChIKey: YWUDBFGEOUAZMH-DYUKFFQPSA-N
• XLogP: 13.69
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.92
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 135245202) is 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is C=CC1=C(/C=C\C)c2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2C12c1ccccc1-c1c2c2ccccc2c2ccccc12.

What is the InChIKey of 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is YWUDBFGEOUAZMH-DYUKFFQPSA-N. The full InChI is InChI=1S/C55H37N3/c1-3-20-44-46(4-2)55(47-33-18-17-31-45(47)50-41-28-14-11-25-37(41)38-26-12-15-29-42(38)51(50)55)48-34-19-32-40(49(44)48)39-27-13-16-30-43(39)54-57-52(35-21-7-5-8-22-35)56-53(58-54)36-23-9-6-10-24-36/h3-34H,2H2,1H3/b20-3-.

What are the key properties of 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 739.92 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 135245202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).