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

C46H26N4O2 — CID 58099647

IUPAC6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cc12
InChIInChI=1S/C46H26N4O2/c1-3-13-38-30(8-1)33-11-6-22-47-45(33)49(38)29-18-21-43-37(26-29)32-10-5-14-40(44(32)52-43)50-39-19-16-27(24-35(39)34-12-7-23-48-46(34)50)28-17-20-42-36(25-28)31-9-2-4-15-41(31)51-42/h1-26H
InChIKeyHRAILHJFRIRZLL-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.14
Rot. Bonds3

About 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole

6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole (PubChem CID 58099647) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole
PubChem CID58099647
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cc12
InChIInChI=1S/C46H26N4O2/c1-3-13-38-30(8-1)33-11-6-22-47-45(33)49(38)29-18-21-43-37(26-29)32-10-5-14-40(44(32)52-43)50-39-19-16-27(24-35(39)34-12-7-23-48-46(34)50)28-17-20-42-36(25-28)31-9-2-4-15-41(31)51-42/h1-26H
InChIKeyHRAILHJFRIRZLL-UHFFFAOYSA-N
XLogP12.14
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
The IUPAC name of 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole (CID 58099647) is 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
The canonical SMILES for 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cccnc3n4-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cc12.
What is the InChIKey of 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
The InChIKey is HRAILHJFRIRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-3-13-38-30(8-1)33-11-6-22-47-45(33)49(38)29-18-21-43-37(26-29)32-10-5-14-40(44(32)52-43)50-39-19-16-27(24-35(39)34-12-7-23-48-46(34)50)28-17-20-42-36(25-28)31-9-2-4-15-41(31)51-42/h1-26H.
What are the key properties of 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole has a molecular weight of 666.74 g/mol, XLogP of 12.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 58099647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).