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

C34H20N4O — CID 90167810

IUPAC9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C34H20N4O/c1-3-11-29-23(7-1)25-9-5-17-35-33(25)37(29)21-13-15-31-27(19-21)28-20-22(14-16-32(28)39-31)38-30-12-4-2-8-24(30)26-10-6-18-36-34(26)38/h1-20H
InChIKeyOYVJTQFZNHWPLW-UHFFFAOYSA-N
MW500.56 g/mol
LogP8.57
Rot. Bonds2

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

9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole (PubChem CID 90167810) has the molecular formula C34H20N4O and a molecular weight of 500.56 g/mol. Its IUPAC name is 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole
PubChem CID90167810
Molecular FormulaC34H20N4O
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C34H20N4O/c1-3-11-29-23(7-1)25-9-5-17-35-33(25)37(29)21-13-15-31-27(19-21)28-20-22(14-16-32(28)39-31)38-30-12-4-2-8-24(30)26-10-6-18-36-34(26)38/h1-20H
InChIKeyOYVJTQFZNHWPLW-UHFFFAOYSA-N
XLogP8.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole (CID 90167810) is 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1.
What is the InChIKey of 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
The InChIKey is OYVJTQFZNHWPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O/c1-3-11-29-23(7-1)25-9-5-17-35-33(25)37(29)21-13-15-31-27(19-21)28-20-22(14-16-32(28)39-31)38-30-12-4-2-8-24(30)26-10-6-18-36-34(26)38/h1-20H.
What are the key properties of 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole has a molecular weight of 500.56 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 90167810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).