4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline

C45H25N7O — CID 164779869

About 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline

4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline (PubChem CID 164779869) has the molecular formula C45H25N7O and a molecular weight of 679.74 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline.

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline
• PubChem CID: 164779869
• Molecular Formula: C45H25N7O
• Molecular Weight: 679.74 g/mol
• Exact Mass: 679.21
• IUPAC Name: 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline
• SMILES: c1ccc2c(c1)oc1ccc(-c3nc(-n4c5ccccc5c5cccnc54)nc4c3ccc3ccc(-n5c6ccccc6c6cccnc65)nc34)cc12
• InChI: InChI=1S/C45H25N7O/c1-4-14-35-28(9-1)31-12-7-23-46-43(31)51(35)39-22-19-26-17-20-33-40(27-18-21-38-34(25-27)30-11-3-6-16-37(30)53-38)49-45(50-42(33)41(26)48-39)52-36-15-5-2-10-29(36)32-13-8-24-47-44(32)52/h1-25H
• InChIKey: GUKVWLHKRMBFKZ-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.74
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline?

The IUPAC name of 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline (CID 164779869) is 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline.

What is the SMILES notation for 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline?

The canonical SMILES for 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline is c1ccc2c(c1)oc1ccc(-c3nc(-n4c5ccccc5c5cccnc54)nc4c3ccc3ccc(-n5c6ccccc6c6cccnc65)nc34)cc12.

What is the InChIKey of 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline?

The InChIKey is GUKVWLHKRMBFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N7O/c1-4-14-35-28(9-1)31-12-7-23-46-43(31)51(35)39-22-19-26-17-20-33-40(27-18-21-38-34(25-27)30-11-3-6-16-37(30)53-38)49-45(50-42(33)41(26)48-39)52-36-15-5-2-10-29(36)32-13-8-24-47-44(32)52/h1-25H.

What are the key properties of 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline?

4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline has a molecular weight of 679.74 g/mol, XLogP of 10.73, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline is sourced from PubChem (CID 164779869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).