34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene

C150H84N12 — CID 158561217

About 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene

34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene (PubChem CID 158561217) has the molecular formula C150H84N12 and a molecular weight of 2054.41 g/mol. Its IUPAC name is 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene.

Molecular Properties

• Compound Name: 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene
• PubChem CID: 158561217
• Molecular Formula: C150H84N12
• Molecular Weight: 2054.41 g/mol
• Exact Mass: 2052.69
• IUPAC Name: 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene
• SMILES: c1ccc(-c2nc(-n3c4cccc5c4c4c(cc6ccccc6c43)c3c4ccccc4cc4c6ccccc6n5c43)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c3c3ccccc3cc4n3c4ccccc4c4cc6ccccc6c5c43)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4cccc5c6cc7ccccc7c7c8ccccc8n(c8cc9ccccc9c3c8c54)c67)nc3ccc4ccccc4c23)cc1
• InChI: InChI=1S/3C50H28N4/c1-2-14-30(15-3-1)47-44-33-18-7-4-13-29(33)25-26-39(44)51-50(52-47)54-41-24-12-22-36-38-27-31-16-5-8-19-34(31)43-37-21-10-11-23-40(37)53(49(38)43)42-28-32-17-6-9-20-35(32)48(54)46(42)45(36)41;1-2-14-30(15-3-1)47-44-33-18-7-4-13-29(33)25-26-39(44)51-50(52-47)54-41-24-12-22-37-43-34-19-8-5-16-31(34)27-38-36-21-10-11-23-40(36)53(49(38)43)42-28-32-17-6-9-20-35(32)48(54)46(42)45(37)41;1-2-14-30(15-3-1)47-44-33-18-7-4-13-29(33)25-26-39(44)51-50(52-47)54-42-24-12-23-41-46(42)45-38(28-32-17-6-9-20-35(32)48(45)54)43-34-19-8-5-16-31(34)27-37-36-21-10-11-22-40(36)53(41)49(37)43/h3*1-28H
• InChIKey: HQXGZBQDBKBPHE-UHFFFAOYSA-N
• XLogP: 39.01
• TPSA: 105.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.41
LogP ≤ 5	39.01
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 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene?

The IUPAC name of 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene (CID 158561217) is 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene.

What is the SMILES notation for 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene?

The canonical SMILES for 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene is c1ccc(-c2nc(-n3c4cccc5c4c4c(cc6ccccc6c43)c3c4ccccc4cc4c6ccccc6n5c43)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c3c3ccccc3cc4n3c4ccccc4c4cc6ccccc6c5c43)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4cccc5c6cc7ccccc7c7c8ccccc8n(c8cc9ccccc9c3c8c54)c67)nc3ccc4ccccc4c23)cc1.

What is the InChIKey of 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene?

The InChIKey is HQXGZBQDBKBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H28N4/c1-2-14-30(15-3-1)47-44-33-18-7-4-13-29(33)25-26-39(44)51-50(52-47)54-41-24-12-22-36-38-27-31-16-5-8-19-34(31)43-37-21-10-11-23-40(37)53(49(38)43)42-28-32-17-6-9-20-35(32)48(54)46(42)45(36)41;1-2-14-30(15-3-1)47-44-33-18-7-4-13-29(33)25-26-39(44)51-50(52-47)54-41-24-12-22-37-43-34-19-8-5-16-31(34)27-38-36-21-10-11-23-40(36)53(49(38)43)42-28-32-17-6-9-20-35(32)48(54)46(42)45(37)41;1-2-14-30(15-3-1)47-44-33-18-7-4-13-29(33)25-26-39(44)51-50(52-47)54-42-24-12-23-41-46(42)45-38(28-32-17-6-9-20-35(32)48(45)54)43-34-19-8-5-16-31(34)27-37-36-21-10-11-22-40(36)53(41)49(37)43/h3*1-28H.

What are the key properties of 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene?

34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene has a molecular weight of 2054.41 g/mol, XLogP of 39.01, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-1,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.020,25.026,33.027,32]tetratriaconta-2,4,6,8,10,12(17),13,15,18,20,22,24,26(33),27,29,31-hexadecaene;34-(1-phenylbenzo[f]quinazolin-3-yl)-18,34-diazanonacyclo[16.14.1.110,13.02,11.04,9.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29,31-hexadecaene is sourced from PubChem (CID 158561217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).