26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

C137H86N12 — CID 163956430

About 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 163956430) has the molecular formula C137H86N12 and a molecular weight of 1900.28 g/mol. Its IUPAC name is 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 163956430
• Molecular Formula: C137H86N12
• Molecular Weight: 1900.28 g/mol
• Exact Mass: 1898.71
• IUPAC Name: 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5cccc6c7cccc8c9ccccc9n(c9cccc4c9c65)c78)ccc3n2)cc1.c1ccc(-c2nc3c(ccc4ccccc43)nc2-n2c3cccc4c5cccc6c7ccccc7n(c7cccc2c7c43)c56)cc1
• InChI: InChI=1S/C51H36N4.C44H26N4.C42H24N4/c1-5-16-37(17-6-1)38-28-32-45(33-29-38)55(48-27-14-13-26-47(48)40-18-7-2-8-19-40)46-34-30-39(31-35-46)43-24-15-25-44(36-43)51-53-49(41-20-9-3-10-21-41)52-50(54-51)42-22-11-4-12-23-42;1-3-12-27(13-4-1)42-34-26-29(24-25-35(34)45-44(46-42)28-14-5-2-6-15-28)47-37-21-10-17-31-33-19-9-18-32-30-16-7-8-20-36(30)48(43(32)33)39-23-11-22-38(47)41(39)40(31)37;1-2-12-26(13-3-1)39-42(43-32-24-23-25-11-4-5-14-27(25)40(32)44-39)46-34-20-9-16-29-31-18-8-17-30-28-15-6-7-19-33(28)45(41(30)31)35-21-10-22-36(46)38(35)37(29)34/h1-36H;1-26H;1-24H
• InChIKey: SDTPPHFJWXLASL-UHFFFAOYSA-N
• XLogP: 35.25
• TPSA: 112.15 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1900.28
LogP ≤ 5	35.25
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 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 163956430) is 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5cccc6c7cccc8c9ccccc9n(c9cccc4c9c65)c78)ccc3n2)cc1.c1ccc(-c2nc3c(ccc4ccccc43)nc2-n2c3cccc4c5cccc6c7ccccc7n(c7cccc2c7c43)c56)cc1.

What is the InChIKey of 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is SDTPPHFJWXLASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4.C44H26N4.C42H24N4/c1-5-16-37(17-6-1)38-28-32-45(33-29-38)55(48-27-14-13-26-47(48)40-18-7-2-8-19-40)46-34-30-39(31-35-46)43-24-15-25-44(36-43)51-53-49(41-20-9-3-10-21-41)52-50(54-51)42-22-11-4-12-23-42;1-3-12-27(13-4-1)42-34-26-29(24-25-35(34)45-44(46-42)28-14-5-2-6-15-28)47-37-21-10-17-31-33-19-9-18-32-30-16-7-8-20-36(30)48(43(32)33)39-23-11-22-38(47)41(39)40(31)37;1-2-12-26(13-3-1)39-42(43-32-24-23-25-11-4-5-14-27(25)40(32)44-39)46-34-20-9-16-29-31-18-8-17-30-28-15-6-7-19-33(28)45(41(30)31)35-21-10-22-36(46)38(35)37(29)34/h1-36H;1-26H;1-24H.

What are the key properties of 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 1900.28 g/mol, XLogP of 35.25, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(2,4-diphenylquinazolin-6-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;26-(2-phenylbenzo[f]quinoxalin-3-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 163956430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).