26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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

C144H78N12O2S — CID 162115376

About 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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 162115376) has the molecular formula C144H78N12O2S and a molecular weight of 2040.36 g/mol. Its IUPAC name is 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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: 162115376
• Molecular Formula: C144H78N12O2S
• Molecular Weight: 2040.36 g/mol
• Exact Mass: 2038.61
• IUPAC Name: 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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: c1ccc2c(c1)ccc1c(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc12.c1ccc2c(c1)ccc1c(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc12.c1ccc2c(c1)ccc1c(-c3ccc4oc5ccccc5c4c3)nc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc12
• InChI: InChI=1S/2C48H26N4O.C48H26N4S/c1-2-11-29-27(10-1)22-25-36-45(28-23-24-32-31-13-4-6-21-41(31)53-42(32)26-28)49-48(50-46(29)36)52-38-18-8-14-33-35-16-7-15-34-30-12-3-5-17-37(30)51(47(34)35)39-19-9-20-40(52)44(39)43(33)38;1-2-11-29-27(10-1)22-24-35-45(28-23-25-42-36(26-28)31-13-4-6-21-41(31)53-42)49-48(50-46(29)35)52-38-18-8-14-32-34-16-7-15-33-30-12-3-5-17-37(30)51(47(33)34)39-19-9-20-40(52)44(39)43(32)38;1-2-11-29-27(10-1)22-25-36-45(28-23-24-32-31-13-4-6-21-41(31)53-42(32)26-28)49-48(50-46(29)36)52-38-18-8-14-33-35-16-7-15-34-30-12-3-5-17-37(30)51(47(34)35)39-19-9-20-40(52)44(39)43(33)38/h3*1-26H
• InChIKey: ZGRRQSULKMSBGS-UHFFFAOYSA-N
• XLogP: 38.26
• TPSA: 131.64 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2040.36
LogP ≤ 5	38.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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 162115376) is 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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 c1ccc2c(c1)ccc1c(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc12.c1ccc2c(c1)ccc1c(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc12.c1ccc2c(c1)ccc1c(-c3ccc4oc5ccccc5c4c3)nc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc12.

What is the InChIKey of 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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 ZGRRQSULKMSBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H26N4O.C48H26N4S/c1-2-11-29-27(10-1)22-25-36-45(28-23-24-32-31-13-4-6-21-41(31)53-42(32)26-28)49-48(50-46(29)36)52-38-18-8-14-33-35-16-7-15-34-30-12-3-5-17-37(30)51(47(34)35)39-19-9-20-40(52)44(39)43(33)38;1-2-11-29-27(10-1)22-24-35-45(28-23-25-42-36(26-28)31-13-4-6-21-41(31)53-42)49-48(50-46(29)35)52-38-18-8-14-32-34-16-7-15-33-30-12-3-5-17-37(30)51(47(33)34)39-19-9-20-40(52)44(39)43(32)38;1-2-11-29-27(10-1)22-25-36-45(28-23-24-32-31-13-4-6-21-41(31)53-42(32)26-28)49-48(50-46(29)36)52-38-18-8-14-33-35-16-7-15-34-30-12-3-5-17-37(30)51(47(34)35)39-19-9-20-40(52)44(39)43(33)38/h3*1-26H.

What are the key properties of 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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 2040.36 g/mol, XLogP of 38.26, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(4-dibenzofuran-2-ylbenzo[h]quinazolin-2-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-(4-dibenzofuran-3-ylbenzo[h]quinazolin-2-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-(4-dibenzothiophen-3-ylbenzo[h]quinazolin-2-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 162115376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).