2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine

C62H35N3O2 — CID 164720963

About 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine

2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 164720963) has the molecular formula C62H35N3O2 and a molecular weight of 853.98 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine
• PubChem CID: 164720963
• Molecular Formula: C62H35N3O2
• Molecular Weight: 853.98 g/mol
• Exact Mass: 853.27
• IUPAC Name: 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccc7c(c6c5c4)C4(c5ccccc5-c5ccccc54)c4cc5oc6ccccc6c5cc4-7)cc4ccccc34)n2)cc1
• InChI: InChI=1S/C62H35N3O2/c1-3-15-36(16-4-1)59-63-60(37-17-5-2-6-18-37)65-61(64-59)48-33-40(31-39-19-7-8-20-41(39)48)38-27-29-54-49(32-38)57-55(66-54)30-28-45-46-34-47-44-23-11-14-26-53(44)67-56(47)35-52(46)62(58(45)57)50-24-12-9-21-42(50)43-22-10-13-25-51(43)62/h1-35H
• InChIKey: QSOAHCHNPURJPZ-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.98
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine (CID 164720963) is 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccc7c(c6c5c4)C4(c5ccccc5-c5ccccc54)c4cc5oc6ccccc6c5cc4-7)cc4ccccc34)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine?

The InChIKey is QSOAHCHNPURJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H35N3O2/c1-3-15-36(16-4-1)59-63-60(37-17-5-2-6-18-37)65-61(64-59)48-33-40(31-39-19-7-8-20-41(39)48)38-27-29-54-49(32-38)57-55(66-54)30-28-45-46-34-47-44-23-11-14-26-53(44)67-56(47)35-52(46)62(58(45)57)50-24-12-9-21-42(50)43-22-10-13-25-51(43)62/h1-35H.

What are the key properties of 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine?

2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 853.98 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 164720963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).