16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene

C133H75N15O — CID 135212454

About 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene

16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene (PubChem CID 135212454) has the molecular formula C133H75N15O and a molecular weight of 1899.17 g/mol. Its IUPAC name is 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
• PubChem CID: 135212454
• Molecular Formula: C133H75N15O
• Molecular Weight: 1899.17 g/mol
• Exact Mass: 1897.63
• IUPAC Name: 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
• SMILES: c1cc(-c2ccc(-c3ccc(-c4nc(-n5c6ccc(-c7ccc(-c8nc(-n9c%10ccccc%10c%10nc%11c%12ccccc%12c%12ccccc%12n%11c%109)nc9ccccc89)c8ccccc78)cc6c6nc7c8ccccc8c8ccccc8n7c65)nc5ccccc45)cc3)cc2)cc(-c2ccc3c(c2)c2nc4c5ccccc5c5ccccc5n4c2n3-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3n2)c1
• InChI: InChI=1S/C133H75N15O/c1-2-30-89-88(29-1)86(69-70-97(89)120-104-43-11-19-49-110(104)136-133(142-120)146-114-53-23-15-44-105(114)121-128(146)143-111-50-20-12-34-93(111)90-31-3-6-38-99(90)125(143)137-121)85-68-72-116-107(75-85)123-130(145-113-52-22-14-36-95(113)92-33-5-8-40-101(92)127(145)139-123)148(116)132-135-108-47-17-9-41-102(108)118(140-132)80-63-59-77(60-64-80)76-55-57-78(58-56-76)82-27-25-28-83(73-82)84-67-71-115-106(74-84)122-129(144-112-51-21-13-35-94(112)91-32-4-7-39-100(91)126(144)138-122)147(115)131-134-109-48-18-10-42-103(109)119(141-131)81-65-61-79(62-66-81)87-45-26-46-98-96-37-16-24-54-117(96)149-124(87)98/h1-75H
• InChIKey: JCCPHFPLWNEUNI-UHFFFAOYSA-N
• XLogP: 33.06
• TPSA: 157.17 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.17
LogP ≤ 5	33.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene?

The IUPAC name of 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene (CID 135212454) is 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene.

What is the SMILES notation for 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene?

The canonical SMILES for 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene is c1cc(-c2ccc(-c3ccc(-c4nc(-n5c6ccc(-c7ccc(-c8nc(-n9c%10ccccc%10c%10nc%11c%12ccccc%12c%12ccccc%12n%11c%109)nc9ccccc89)c8ccccc78)cc6c6nc7c8ccccc8c8ccccc8n7c65)nc5ccccc45)cc3)cc2)cc(-c2ccc3c(c2)c2nc4c5ccccc5c5ccccc5n4c2n3-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3n2)c1.

What is the InChIKey of 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene?

The InChIKey is JCCPHFPLWNEUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H75N15O/c1-2-30-89-88(29-1)86(69-70-97(89)120-104-43-11-19-49-110(104)136-133(142-120)146-114-53-23-15-44-105(114)121-128(146)143-111-50-20-12-34-93(111)90-31-3-6-38-99(90)125(143)137-121)85-68-72-116-107(75-85)123-130(145-113-52-22-14-36-95(113)92-33-5-8-40-101(92)127(145)139-123)148(116)132-135-108-47-17-9-41-102(108)118(140-132)80-63-59-77(60-64-80)76-55-57-78(58-56-76)82-27-25-28-83(73-82)84-67-71-115-106(74-84)122-129(144-112-51-21-13-35-94(112)91-32-4-7-39-100(91)126(144)138-122)147(115)131-134-109-48-18-10-42-103(109)119(141-131)81-65-61-79(62-66-81)87-45-26-46-98-96-37-16-24-54-117(96)149-124(87)98/h1-75H.

What are the key properties of 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene?

16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene has a molecular weight of 1899.17 g/mol, XLogP of 33.06, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene is sourced from PubChem (CID 135212454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).