12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C102H60N8O — CID 167031992

About 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 167031992) has the molecular formula C102H60N8O and a molecular weight of 1413.66 g/mol. Its IUPAC name is 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 167031992
• Molecular Formula: C102H60N8O
• Molecular Weight: 1413.66 g/mol
• Exact Mass: 1412.49
• IUPAC Name: 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5ccc(-c6cc(-c7nc(-c8cccc(-n9c%10cc%11ccccc%11cc%10c%10c%11ccccc%11ccc%109)c8)nc(-c8cccc9oc%10ccccc%10c89)n7)cc7ccccc67)cc5c4)cc3)nc(-c3ccccc3-n3c4cc5ccccc5cc4c4c5ccccc5ccc43)n2)cc1
• InChI: InChI=1S/C102H60N8O/c1-2-22-65(23-3-1)97-103-98(106-101(105-97)81-34-14-16-37-87(81)110-89-51-49-64-21-9-13-33-80(64)95(89)86-57-68-25-5-7-27-70(68)60-91(86)110)66-44-40-61(41-45-66)71-46-42-62-43-47-73(53-75(62)52-71)84-58-76(54-72-28-10-11-31-78(72)84)100-104-99(107-102(108-100)83-36-19-39-93-96(83)82-35-15-17-38-92(82)111-93)74-29-18-30-77(55-74)109-88-50-48-63-20-8-12-32-79(63)94(88)85-56-67-24-4-6-26-69(67)59-90(85)109/h1-60H
• InChIKey: CJPLRWNBZMDXJU-UHFFFAOYSA-N
• XLogP: 26.41
• TPSA: 100.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1413.66
LogP ≤ 5	26.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 167031992) is 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc(-c2nc(-c3ccc(-c4ccc5ccc(-c6cc(-c7nc(-c8cccc(-n9c%10cc%11ccccc%11cc%10c%10c%11ccccc%11ccc%109)c8)nc(-c8cccc9oc%10ccccc%10c89)n7)cc7ccccc67)cc5c4)cc3)nc(-c3ccccc3-n3c4cc5ccccc5cc4c4c5ccccc5ccc43)n2)cc1.

What is the InChIKey of 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is CJPLRWNBZMDXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N8O/c1-2-22-65(23-3-1)97-103-98(106-101(105-97)81-34-14-16-37-87(81)110-89-51-49-64-21-9-13-33-80(64)95(89)86-57-68-25-5-7-27-70(68)60-91(86)110)66-44-40-61(41-45-66)71-46-42-62-43-47-73(53-75(62)52-71)84-58-76(54-72-28-10-11-31-78(72)84)100-104-99(107-102(108-100)83-36-19-39-93-96(83)82-35-15-17-38-92(82)111-93)74-29-18-30-77(55-74)109-88-50-48-63-20-8-12-32-79(63)94(88)85-56-67-24-4-6-26-69(67)59-90(85)109/h1-60H.

What are the key properties of 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 1413.66 g/mol, XLogP of 26.41, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 167031992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).