2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine

C55H34N4 — CID 134258354

About 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine

2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine (PubChem CID 134258354) has the molecular formula C55H34N4 and a molecular weight of 750.90 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine
• PubChem CID: 134258354
• Molecular Formula: C55H34N4
• Molecular Weight: 750.90 g/mol
• Exact Mass: 750.28
• IUPAC Name: 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine
• SMILES: C1=Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1c2c2ccccc2c2ccccc12
• InChI: InChI=1S/C55H34N4/c1-2-14-38(15-3-1)52-57-53(39-29-24-35(25-30-39)41-16-12-32-56-34-41)59-54(58-52)40-31-28-37-27-26-36-13-4-10-22-47(36)55(49(37)33-40)48-23-11-9-21-46(48)50-44-19-7-5-17-42(44)43-18-6-8-20-45(43)51(50)55/h1-34H
• InChIKey: GJRRKSYKLNTAMQ-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.90
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine (CID 134258354) is 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine is C1=Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1c2c2ccccc2c2ccccc12.

What is the InChIKey of 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine?

The InChIKey is GJRRKSYKLNTAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c1-2-14-38(15-3-1)52-57-53(39-29-24-35(25-30-39)41-16-12-32-56-34-41)59-54(58-52)40-31-28-37-27-26-36-13-4-10-22-47(36)55(49(37)33-40)48-23-11-9-21-46(48)50-44-19-7-5-17-42(44)43-18-6-8-20-45(43)51(50)55/h1-34H.

What are the key properties of 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine?

2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine has a molecular weight of 750.90 g/mol, XLogP of 13.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine is sourced from PubChem (CID 134258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).