4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene

C106H65N5O — CID 159569416

About 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene

4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene (PubChem CID 159569416) has the molecular formula C106H65N5O and a molecular weight of 1424.72 g/mol. Its IUPAC name is 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
• PubChem CID: 159569416
• Molecular Formula: C106H65N5O
• Molecular Weight: 1424.72 g/mol
• Exact Mass: 1423.52
• IUPAC Name: 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)cc6c6ccccc6c54)nc4ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4c5ccccc5ccc4c4c5c6ccccc6ccc5c5ccccc5c43)cc2)cc1
• InChI: InChI=1S/C60H35N3O.C46H30N2/c1-2-14-36(15-3-1)37-26-28-39(29-27-37)58-47-23-10-12-24-51(47)61-60(62-58)63-52-32-30-38-16-4-5-17-41(38)56(52)57-55-45-21-8-6-18-42(45)48(35-50(55)43-19-7-9-22-46(43)59(57)63)40-31-33-54-49(34-40)44-20-11-13-25-53(44)64-54;1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)35-25-27-36(28-26-35)48-45-38-20-10-8-14-32(38)24-30-42(45)44-43-37-19-9-7-13-31(37)23-29-40(43)39-21-11-12-22-41(39)46(44)48/h1-35H;1-30H
• InChIKey: MHPWSPUTDHMNRR-UHFFFAOYSA-N
• XLogP: 29.11
• TPSA: 52.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1424.72
LogP ≤ 5	29.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene?

The IUPAC name of 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene (CID 159569416) is 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene.

What is the SMILES notation for 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene?

The canonical SMILES for 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)cc6c6ccccc6c54)nc4ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4c5ccccc5ccc4c4c5c6ccccc6ccc5c5ccccc5c43)cc2)cc1.

What is the InChIKey of 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene?

The InChIKey is MHPWSPUTDHMNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O.C46H30N2/c1-2-14-36(15-3-1)37-26-28-39(29-27-37)58-47-23-10-12-24-51(47)61-60(62-58)63-52-32-30-38-16-4-5-17-41(38)56(52)57-55-45-21-8-6-18-42(45)48(35-50(55)43-19-7-9-22-46(43)59(57)63)40-31-33-54-49(34-40)44-20-11-13-25-53(44)64-54;1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)35-25-27-36(28-26-35)48-45-38-20-10-8-14-32(38)24-30-42(45)44-43-37-19-9-7-13-31(37)23-29-40(43)39-21-11-12-22-41(39)46(44)48/h1-35H;1-30H.

What are the key properties of 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene?

4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene has a molecular weight of 1424.72 g/mol, XLogP of 29.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaen-19-yl)-N,N-diphenylaniline;9-dibenzofuran-2-yl-19-[4-(4-phenylphenyl)quinazolin-2-yl]-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.023,28]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene is sourced from PubChem (CID 159569416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).