12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C53H34N4O — CID 146360499

About 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 146360499) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 146360499
• Molecular Formula: C53H34N4O
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.27
• IUPAC Name: 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: C1=C(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)n2)c2oc3ccccc3c2CC1
• InChI: InChI=1S/C53H34N4O/c1-2-11-33(12-3-1)34-21-23-37(24-22-34)51-54-52(56-53(55-51)44-19-10-18-43-42-17-8-9-20-47(42)58-50(43)44)38-25-29-39(30-26-38)57-45-31-27-35-13-4-6-15-40(35)48(45)49-41-16-7-5-14-36(41)28-32-46(49)57/h1-9,11-17,19-32H,10,18H2
• InChIKey: CUYGLSIPLYTRHQ-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 146360499) is 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is C1=C(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)n2)c2oc3ccccc3c2CC1.

What is the InChIKey of 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is CUYGLSIPLYTRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-2-11-33(12-3-1)34-21-23-37(24-22-34)51-54-52(56-53(55-51)44-19-10-18-43-42-17-8-9-20-47(42)58-50(43)44)38-25-29-39(30-26-38)57-45-31-27-35-13-4-6-15-40(35)48(45)49-41-16-7-5-14-36(41)28-32-46(49)57/h1-9,11-17,19-32H,10,18H2.

What are the key properties of 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 742.88 g/mol, XLogP of 13.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 146360499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).