30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene

C153H88N12O — CID 159228482

About 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene

30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene (PubChem CID 159228482) has the molecular formula C153H88N12O and a molecular weight of 2110.47 g/mol. Its IUPAC name is 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
• PubChem CID: 159228482
• Molecular Formula: C153H88N12O
• Molecular Weight: 2110.47 g/mol
• Exact Mass: 2108.72
• IUPAC Name: 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5cccc6c7cccc8c9ccc%10ccccc%10c9n(c9cccc4c9c65)c78)nc4c3ccc3ccccc34)cc21.c1ccc(-c2nc(-n3c4cccc5c6cccc7c8cc9ccccc9cc8n(c8cccc3c8c54)c67)nc3c2ccc2ccccc23)cc1.c1ccc2c(c1)ccc1c(-c3cccc4c3oc3ccccc34)nc(-n3c4cccc5c6cccc7c8ccc9ccccc9c8n(c8cccc3c8c54)c67)nc12
• InChI: InChI=1S/C55H34N4.C52H28N4O.C46H26N4/c1-55(2)43-20-8-7-16-36(43)37-27-26-33(30-44(37)55)50-42-29-25-31-12-3-5-14-34(31)51(42)57-54(56-50)58-45-21-10-17-38-39-18-9-19-40-41-28-24-32-13-4-6-15-35(32)52(41)59(53(39)40)47-23-11-22-46(58)49(47)48(38)45;1-3-13-31-29(11-1)26-28-39-47(31)53-52(54-48(39)40-20-8-19-38-33-15-5-6-24-44(33)57-51(38)40)55-41-21-9-16-34-35-17-7-18-36-37-27-25-30-12-2-4-14-32(30)49(37)56(50(35)36)43-23-10-22-42(55)46(43)45(34)41;1-2-12-28(13-3-1)43-35-24-23-27-11-6-7-16-31(27)44(35)48-46(47-43)50-37-20-9-17-32-33-18-8-19-34-36-25-29-14-4-5-15-30(29)26-40(36)49(45(33)34)38-21-10-22-39(50)42(38)41(32)37/h3-30H,1-2H3;1-28H;1-26H
• InChIKey: KSOZHPFAXYJRKM-UHFFFAOYSA-N
• XLogP: 39.76
• TPSA: 118.50 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.47
LogP ≤ 5	39.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

The IUPAC name of 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene (CID 159228482) is 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene.

What is the SMILES notation for 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

The canonical SMILES for 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5cccc6c7cccc8c9ccc%10ccccc%10c9n(c9cccc4c9c65)c78)nc4c3ccc3ccccc34)cc21.c1ccc(-c2nc(-n3c4cccc5c6cccc7c8cc9ccccc9cc8n(c8cccc3c8c54)c67)nc3c2ccc2ccccc23)cc1.c1ccc2c(c1)ccc1c(-c3cccc4c3oc3ccccc34)nc(-n3c4cccc5c6cccc7c8ccc9ccccc9c8n(c8cccc3c8c54)c67)nc12.

What is the InChIKey of 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

The InChIKey is KSOZHPFAXYJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4.C52H28N4O.C46H26N4/c1-55(2)43-20-8-7-16-36(43)37-27-26-33(30-44(37)55)50-42-29-25-31-12-3-5-14-34(31)51(42)57-54(56-50)58-45-21-10-17-38-39-18-9-19-40-41-28-24-32-13-4-6-15-35(32)52(41)59(53(39)40)47-23-11-22-46(58)49(47)48(38)45;1-3-13-31-29(11-1)26-28-39-47(31)53-52(54-48(39)40-20-8-19-38-33-15-5-6-24-44(33)57-51(38)40)55-41-21-9-16-34-35-17-7-18-36-37-27-25-30-12-2-4-14-32(30)49(37)56(50(35)36)43-23-10-22-42(55)46(43)45(34)41;1-2-12-28(13-3-1)43-35-24-23-27-11-6-7-16-31(27)44(35)48-46(47-43)50-37-20-9-17-32-33-18-8-19-34-36-25-29-14-4-5-15-30(29)26-40(36)49(45(33)34)38-21-10-22-39(50)42(38)41(32)37/h3-30H,1-2H3;1-28H;1-26H.

What are the key properties of 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene has a molecular weight of 2110.47 g/mol, XLogP of 39.76, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene is sourced from PubChem (CID 159228482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).