16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene

C98H56N12 — CID 135212604

About 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene

16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene (PubChem CID 135212604) has the molecular formula C98H56N12 and a molecular weight of 1401.61 g/mol. Its IUPAC name is 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene.

Molecular Properties

• Compound Name: 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene
• PubChem CID: 135212604
• Molecular Formula: C98H56N12
• Molecular Weight: 1401.61 g/mol
• Exact Mass: 1400.48
• IUPAC Name: 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene
• SMILES: c1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5nc7c8ccccc8c8ccccc8n7c5n6-c5nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c6ccccc6n5)ccc4c3)nc(-n3c4ccccc4c4nc5c6ccccc6c6ccccc6n5c43)nc2c1
• InChI: InChI=1S/C98H56N12/c1-3-31-73-65(23-1)67-25-7-20-42-85(67)107-93(73)101-91-77-35-13-22-44-87(77)109(95(91)107)97-99-79-36-14-5-33-75(79)89(103-97)61-48-47-57-51-58(45-46-59(57)52-61)60-49-50-88-78(55-60)92-96(108-86-43-21-8-26-68(86)66-24-2-4-32-74(66)94(108)102-92)110(88)98-100-80-37-15-6-34-76(80)90(104-98)62-53-63(105-81-38-16-9-27-69(81)70-28-10-17-39-82(70)105)56-64(54-62)106-83-40-18-11-29-71(83)72-30-12-19-41-84(72)106/h1-56H
• InChIKey: QPYLWORQUNCANK-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 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene?

The IUPAC name of 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene (CID 135212604) is 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene.

What is the SMILES notation for 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene?

The canonical SMILES for 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene is c1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5nc7c8ccccc8c8ccccc8n7c5n6-c5nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c6ccccc6n5)ccc4c3)nc(-n3c4ccccc4c4nc5c6ccccc6c6ccccc6n5c43)nc2c1.

What is the InChIKey of 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene?

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

What are the key properties of 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene?

16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-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 16-[4-[3,5-di(carbazol-9-yl)phenyl]quinazolin-2-yl]-20-[6-[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-2-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-undecaene is sourced from PubChem (CID 135212604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).