22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene

C79H48N10 — CID 135212460

About 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene

22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene (PubChem CID 135212460) has the molecular formula C79H48N10 and a molecular weight of 1137.32 g/mol. Its IUPAC name is 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene
• PubChem CID: 135212460
• Molecular Formula: C79H48N10
• Molecular Weight: 1137.32 g/mol
• Exact Mass: 1136.41
• IUPAC Name: 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c4nc4c6ccc(-c7ccc(-c8cc(-n9c%10ccccc%10c%10c9nc9c%11ccccc%11c%11ccccc%11n9%10)nc9ncccc89)cc7)cc6c6ccccc6n45)nc4ccccc34)cc21
• InChI: InChI=1S/C79H48N10/c1-79(2)62-27-11-5-19-50(62)51-39-38-48(43-63(51)79)70-57-23-6-12-28-64(57)81-78(83-70)89-68-32-16-10-25-59(68)72-77(89)85-75-56-40-37-47(42-61(56)53-21-8-14-30-66(53)88(72)75)45-33-35-46(36-34-45)60-44-69(82-73-54(60)26-17-41-80-73)86-67-31-15-9-24-58(67)71-76(86)84-74-55-22-4-3-18-49(55)52-20-7-13-29-65(52)87(71)74/h3-44H,1-2H3
• InChIKey: KBFBEUQDEDXLRR-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 96.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.32
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene?

The IUPAC name of 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene (CID 135212460) is 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene.

What is the SMILES notation for 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene?

The canonical SMILES for 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c4nc4c6ccc(-c7ccc(-c8cc(-n9c%10ccccc%10c%10c9nc9c%11ccccc%11c%11ccccc%11n9%10)nc9ncccc89)cc7)cc6c6ccccc6n45)nc4ccccc34)cc21.

What is the InChIKey of 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene?

The InChIKey is KBFBEUQDEDXLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H48N10/c1-79(2)62-27-11-5-19-50(62)51-39-38-48(43-63(51)79)70-57-23-6-12-28-64(57)81-78(83-70)89-68-32-16-10-25-59(68)72-77(89)85-75-56-40-37-47(42-61(56)53-21-8-14-30-66(53)88(72)75)45-33-35-46(36-34-45)60-44-69(82-73-54(60)26-17-41-80-73)86-67-31-15-9-24-58(67)71-76(86)84-74-55-22-4-3-18-49(55)52-20-7-13-29-65(52)87(71)74/h3-44H,1-2H3.

What are the key properties of 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene?

22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene has a molecular weight of 1137.32 g/mol, XLogP of 18.98, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene is sourced from PubChem (CID 135212460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).