2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine

C180H116FN9 — CID 162114140

About 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine

2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine (PubChem CID 162114140) has the molecular formula C180H116FN9 and a molecular weight of 2423.97 g/mol. Its IUPAC name is 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine
• PubChem CID: 162114140
• Molecular Formula: C180H116FN9
• Molecular Weight: 2423.97 g/mol
• Exact Mass: 2421.93
• IUPAC Name: 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine
• SMILES: C1=C(c2ccccc2)c2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc12.Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4C=C3)c3ccccc3-c3cc(-c4ccc(C#N)cc4)ccc32)cc1.Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
• InChI: InChI=1S/C49H32N2.C48H31N3.C42H26FN3.C41H27N/c1-3-13-33(14-4-1)34-23-27-38(28-24-34)48-50-46(37-17-5-2-6-18-37)32-47(51-48)39-29-30-41-40-19-9-12-22-44(40)49(45(41)31-39)42-20-10-7-15-35(42)25-26-36-16-8-11-21-43(36)49;1-4-16-32(17-5-1)40-30-35-22-10-13-25-41(35)48(43-27-15-12-24-38(40)43)42-26-14-11-23-37(42)39-29-28-36(31-44(39)48)47-50-45(33-18-6-2-7-19-33)49-46(51-47)34-20-8-3-9-21-34;43-32-23-21-28-20-19-27-11-7-9-17-35(27)42(38(28)26-32)36-18-10-8-16-33(36)34-25-31(22-24-37(34)42)41-45-39(29-12-3-1-4-13-29)44-40(46-41)30-14-5-2-6-15-30;1-27-10-14-29(15-11-27)34-21-20-32-19-18-31-6-2-4-8-37(31)41(40(32)25-34)38-9-5-3-7-35(38)36-24-33(22-23-39(36)41)30-16-12-28(26-42)13-17-30/h1-32H;1-31H;1-26H;2-25H,1H3
• InChIKey: ZGNUOVXEXABYET-UHFFFAOYSA-N
• XLogP: 43.04
• TPSA: 126.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2423.97
LogP ≤ 5	43.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine?

The IUPAC name of 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine (CID 162114140) is 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine.

What is the SMILES notation for 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine?

The canonical SMILES for 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine is C1=C(c2ccccc2)c2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc12.Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4C=C3)c3ccccc3-c3cc(-c4ccc(C#N)cc4)ccc32)cc1.Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.

What is the InChIKey of 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine?

The InChIKey is ZGNUOVXEXABYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2.C48H31N3.C42H26FN3.C41H27N/c1-3-13-33(14-4-1)34-23-27-38(28-24-34)48-50-46(37-17-5-2-6-18-37)32-47(51-48)39-29-30-41-40-19-9-12-22-44(40)49(45(41)31-39)42-20-10-7-15-35(42)25-26-36-16-8-11-21-43(36)49;1-4-16-32(17-5-1)40-30-35-22-10-13-25-41(35)48(43-27-15-12-24-38(40)43)42-26-14-11-23-37(42)39-29-28-36(31-44(39)48)47-50-45(33-18-6-2-7-19-33)49-46(51-47)34-20-8-3-9-21-34;43-32-23-21-28-20-19-27-11-7-9-17-35(27)42(38(28)26-32)36-18-10-8-16-33(36)34-25-31(22-24-37(34)42)41-45-39(29-12-3-1-4-13-29)44-40(46-41)30-14-5-2-6-15-30;1-27-10-14-29(15-11-27)34-21-20-32-19-18-31-6-2-4-8-37(31)41(40(32)25-34)38-9-5-3-7-35(38)36-24-33(22-23-39(36)41)30-16-12-28(26-42)13-17-30/h1-32H;1-31H;1-26H;2-25H,1H3.

What are the key properties of 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine?

2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine has a molecular weight of 2423.97 g/mol, XLogP of 43.04, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(9'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl)-1,3,5-triazine;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine;4-[5'-(4-methylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl]benzonitrile;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylpyrimidine is sourced from PubChem (CID 162114140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).