3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline

C38H29N3O2 — CID 140881709

IUPAC3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cccc(-c2cc3c(cn2)oc2ccccc23)c1)c1cccc(-c2cc3c(cn2)oc2ccccc23)c1
InChIInChI=1S/C38H29N3O2/c1-24(2)23-41(27-11-7-9-25(17-27)33-19-31-29-13-3-5-15-35(29)42-37(31)21-39-33)28-12-8-10-26(18-28)34-20-32-30-14-4-6-16-36(30)43-38(32)22-40-34/h3-22,24H,23H2,1-2H3
InChIKeyVRRAIRPBCJTJJG-UHFFFAOYSA-N
MW559.67 g/mol
LogP10.40
Rot. Bonds6

About 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline

3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline (PubChem CID 140881709) has the molecular formula C38H29N3O2 and a molecular weight of 559.67 g/mol. Its IUPAC name is 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline
PubChem CID140881709
Molecular FormulaC38H29N3O2
Molecular Weight559.67 g/mol
Exact Mass559.23
IUPAC Name3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cccc(-c2cc3c(cn2)oc2ccccc23)c1)c1cccc(-c2cc3c(cn2)oc2ccccc23)c1
InChIInChI=1S/C38H29N3O2/c1-24(2)23-41(27-11-7-9-25(17-27)33-19-31-29-13-3-5-15-35(29)42-37(31)21-39-33)28-12-8-10-26(18-28)34-20-32-30-14-4-6-16-36(30)43-38(32)22-40-34/h3-22,24H,23H2,1-2H3
InChIKeyVRRAIRPBCJTJJG-UHFFFAOYSA-N
XLogP10.40
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine
CID 140881767
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
CID 135178307
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline
CID 140881800
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
CID 140881794
3-cinnolin-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168746605
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol
CID 67326004
N-naphthalen-2-yl-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-6-phenylpyridin-3-amine
CID 170779313
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
CID 168738145
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917
5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
CID 121367236

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline?
The IUPAC name of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline (CID 140881709) is 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline.
What is the SMILES notation for 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline?
The canonical SMILES for 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline is CC(C)CN(c1cccc(-c2cc3c(cn2)oc2ccccc23)c1)c1cccc(-c2cc3c(cn2)oc2ccccc23)c1.
What is the InChIKey of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline?
The InChIKey is VRRAIRPBCJTJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3O2/c1-24(2)23-41(27-11-7-9-25(17-27)33-19-31-29-13-3-5-15-35(29)42-37(31)21-39-33)28-12-8-10-26(18-28)34-20-32-30-14-4-6-16-36(30)43-38(32)22-40-34/h3-22,24H,23H2,1-2H3.
What are the key properties of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline?
3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline has a molecular weight of 559.67 g/mol, XLogP of 10.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline is sourced from PubChem (CID 140881709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).