22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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

C98H56N12 — CID 135212377

About 22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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 135212377) has the molecular formula C98H56N12 and a molecular weight of 1401.61 g/mol. Its IUPAC name is 22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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: 135212377
• Molecular Formula: C98H56N12
• Molecular Weight: 1401.61 g/mol
• Exact Mass: 1400.48
• IUPAC Name: 22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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: c1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n5c6nc6c5c5ccccc5n6-c5nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c6ccccc6n5)ccc4c3)nc(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc2c1
• InChI: InChI=1S/C98H56N12/c1-2-30-72-65(23-1)66-24-5-19-41-85(66)107-91-76-33-11-21-43-87(76)109(95(91)103-93(72)107)97-99-79-35-13-3-31-74(79)89(101-97)61-48-47-57-51-58(45-46-59(57)52-61)60-49-50-73-78(55-60)71-29-10-20-42-86(71)108-92-77-34-12-22-44-88(77)110(96(92)104-94(73)108)98-100-80-36-14-4-32-75(80)90(102-98)62-53-63(105-81-37-15-6-25-67(81)68-26-7-16-38-82(68)105)56-64(54-62)106-83-39-17-8-27-69(83)70-28-9-18-40-84(70)106/h1-56H
• InChIKey: LQVVCNRWKQRTBY-UHFFFAOYSA-N
• XLogP: 24.02
• TPSA: 105.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.61
LogP ≤ 5	24.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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 135212377) is 22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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 c1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n5c6nc6c5c5ccccc5n6-c5nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c6ccccc6n5)ccc4c3)nc(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc2c1.

What is the InChIKey of 22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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 LQVVCNRWKQRTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H56N12/c1-2-30-72-65(23-1)66-24-5-19-41-85(66)107-91-76-33-11-21-43-87(76)109(95(91)103-93(72)107)97-99-79-35-13-3-31-74(79)89(101-97)61-48-47-57-51-58(45-46-59(57)52-61)60-49-50-73-78(55-60)71-29-10-20-42-86(71)108-92-77-34-12-22-44-88(77)110(96(92)104-94(73)108)98-100-80-36-14-4-32-75(80)90(102-98)62-53-63(105-81-37-15-6-25-67(81)68-26-7-16-38-82(68)105)56-64(54-62)106-83-39-17-8-27-69(83)70-28-9-18-40-84(70)106/h1-56H.

What are the key properties of 22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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 1401.61 g/mol, XLogP of 24.02, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-5-[6-[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)quinazolin-4-yl]naphthalen-2-yl]-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 135212377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).