9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole

C52H30N4O2 — CID 58038552

About 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole

9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole (PubChem CID 58038552) has the molecular formula C52H30N4O2 and a molecular weight of 742.84 g/mol. Its IUPAC name is 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
• PubChem CID: 58038552
• Molecular Formula: C52H30N4O2
• Molecular Weight: 742.84 g/mol
• Exact Mass: 742.24
• IUPAC Name: 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
• SMILES: c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccncc65)cc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccncc65)cc4c3c2)c1
• InChI: InChI=1S/C52H30N4O2/c1-3-10-45-37(8-1)39-20-22-53-29-47(39)55(45)35-14-18-51-43(27-35)41-25-33(12-16-49(41)57-51)31-6-5-7-32(24-31)34-13-17-50-42(26-34)44-28-36(15-19-52(44)58-50)56-46-11-4-2-9-38(46)40-21-23-54-30-48(40)56/h1-30H
• InChIKey: GRKDXVHZUULSTL-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 61.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.84
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?

The IUPAC name of 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole (CID 58038552) is 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole.

What is the SMILES notation for 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?

The canonical SMILES for 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole is c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccncc65)cc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccncc65)cc4c3c2)c1.

What is the InChIKey of 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?

The InChIKey is GRKDXVHZUULSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2/c1-3-10-45-37(8-1)39-20-22-53-29-47(39)55(45)35-14-18-51-43(27-35)41-25-33(12-16-49(41)57-51)31-6-5-7-32(24-31)34-13-17-50-42(26-34)44-28-36(15-19-52(44)58-50)56-46-11-4-2-9-38(46)40-21-23-54-30-48(40)56/h1-30H.

What are the key properties of 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?

9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole has a molecular weight of 742.84 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 58038552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).