11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]

C65H39N5O — CID 139453609

About 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]

11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene] (PubChem CID 139453609) has the molecular formula C65H39N5O and a molecular weight of 906.06 g/mol. Its IUPAC name is 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene].

Molecular Properties

• Compound Name: 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]
• PubChem CID: 139453609
• Molecular Formula: C65H39N5O
• Molecular Weight: 906.06 g/mol
• Exact Mass: 905.32
• IUPAC Name: 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]
• SMILES: Cc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c(cc4-6)c4ccccc4n5-c4ccccc4)cc23)n1
• InChI: InChI=1S/C65H39N5O/c1-38-66-63(39-17-4-2-5-18-39)68-64(67-38)47-26-16-25-46-52-33-41(31-32-61(52)71-62(46)47)70-58-30-15-11-24-45(58)51-35-49-48-34-50-44-23-10-14-29-57(44)69(40-19-6-3-7-20-40)59(50)36-55(48)65(56(49)37-60(51)70)53-27-12-8-21-42(53)43-22-9-13-28-54(43)65/h2-37H,1H3
• InChIKey: OJDMRCQZTHYNID-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.06
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]?

The IUPAC name of 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene] (CID 139453609) is 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene].

What is the SMILES notation for 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]?

The canonical SMILES for 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene] is Cc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c(cc4-6)c4ccccc4n5-c4ccccc4)cc23)n1.

What is the InChIKey of 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]?

The InChIKey is OJDMRCQZTHYNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5O/c1-38-66-63(39-17-4-2-5-18-39)68-64(67-38)47-26-16-25-46-52-33-41(31-32-61(52)71-62(46)47)70-58-30-15-11-24-45(58)51-35-49-48-34-50-44-23-10-14-29-57(44)69(40-19-6-3-7-20-40)59(50)36-55(48)65(56(49)37-60(51)70)53-27-12-8-21-42(53)43-22-9-13-28-54(43)65/h2-37H,1H3.

What are the key properties of 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]?

11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene] has a molecular weight of 906.06 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene] is sourced from PubChem (CID 139453609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).