9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide

C29H19N2O- — CID 163777675

IUPAC9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide
SMILESC1=Cc2c(n(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)C[N-]1
InChIInChI=1S/C29H19N2O/c1-3-13-26-22(9-1)23-15-16-30-18-27(23)31(26)20-8-5-7-19(17-20)21-11-6-12-25-24-10-2-4-14-28(24)32-29(21)25/h1-17H,18H2/q-1
InChIKeyMLWRBBKAHLDVPH-UHFFFAOYSA-N
MW411.48 g/mol
LogP8.05
Rot. Bonds2

About 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide

9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide (PubChem CID 163777675) has the molecular formula C29H19N2O- and a molecular weight of 411.48 g/mol. Its IUPAC name is 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide.

Molecular Properties

Compound Name9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide
PubChem CID163777675
Molecular FormulaC29H19N2O-
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Name9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide
SMILESC1=Cc2c(n(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)C[N-]1
InChIInChI=1S/C29H19N2O/c1-3-13-26-22(9-1)23-15-16-30-18-27(23)31(26)20-8-5-7-19(17-20)21-11-6-12-25-24-10-2-4-14-28(24)32-29(21)25/h1-17H,18H2/q-1
InChIKeyMLWRBBKAHLDVPH-UHFFFAOYSA-N
XLogP8.05
TPSA32.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
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CID 87156606
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
6-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828171
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide?
The IUPAC name of 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide (CID 163777675) is 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide.
What is the SMILES notation for 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide?
The canonical SMILES for 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide is C1=Cc2c(n(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)C[N-]1.
What is the InChIKey of 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide?
The InChIKey is MLWRBBKAHLDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N2O/c1-3-13-26-22(9-1)23-15-16-30-18-27(23)31(26)20-8-5-7-19(17-20)21-11-6-12-25-24-10-2-4-14-28(24)32-29(21)25/h1-17H,18H2/q-1.
What are the key properties of 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide?
9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide has a molecular weight of 411.48 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide is sourced from PubChem (CID 163777675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).