2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine

C54H33N3 — CID 155186323

About 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine

2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine (PubChem CID 155186323) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine
• PubChem CID: 155186323
• Molecular Formula: C54H33N3
• Molecular Weight: 723.88 g/mol
• Exact Mass: 723.27
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5cc6ccccc6cc5-c5cc6ccccc6cc54)n3)c2)cc1
• InChI: InChI=1S/C54H33N3/c1-3-15-34(16-4-1)36-23-13-24-41(29-36)52-55-51(35-17-5-2-6-18-35)56-53(57-52)43-26-14-28-47-50(43)42-25-11-12-27-46(42)54(47)48-32-39-21-9-7-19-37(39)30-44(48)45-31-38-20-8-10-22-40(38)33-49(45)54/h1-33H
• InChIKey: BHACGFPGMLBLMG-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.88
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine (CID 155186323) is 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5cc6ccccc6cc5-c5cc6ccccc6cc54)n3)c2)cc1.

What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine?

The InChIKey is BHACGFPGMLBLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-3-15-34(16-4-1)36-23-13-24-41(29-36)52-55-51(35-17-5-2-6-18-35)56-53(57-52)43-26-14-28-47-50(43)42-25-11-12-27-46(42)54(47)48-32-39-21-9-7-19-37(39)30-44(48)45-31-38-20-8-10-22-40(38)33-49(45)54/h1-33H.

What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine?

2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine has a molecular weight of 723.88 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine is sourced from PubChem (CID 155186323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).