8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine

C44H25FN6O — CID 144612645

IUPAC8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cnc2c3cc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)ccc3n(-c3ccc4oc5cccnc5c4c3)c2c1
InChIInChI=1S/C44H25FN6O/c45-27-22-39-43(49-25-27)33-23-28(13-16-37(33)51(39)29-14-17-40-34(24-29)44-41(52-40)11-6-20-48-44)50-36-15-12-26(21-32(36)42-38(50)10-5-19-47-42)30-7-1-2-8-31(30)35-9-3-4-18-46-35/h1-25H
InChIKeyCSZKSLJDYUTJQX-UHFFFAOYSA-N
MW672.72 g/mol
LogP10.83
Rot. Bonds4

About 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine

8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 144612645) has the molecular formula C44H25FN6O and a molecular weight of 672.72 g/mol. Its IUPAC name is 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID144612645
Molecular FormulaC44H25FN6O
Molecular Weight672.72 g/mol
Exact Mass672.21
IUPAC Name8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cnc2c3cc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)ccc3n(-c3ccc4oc5cccnc5c4c3)c2c1
InChIInChI=1S/C44H25FN6O/c45-27-22-39-43(49-25-27)33-23-28(13-16-37(33)51(39)29-14-17-40-34(24-29)44-41(52-40)11-6-20-48-44)50-36-15-12-26(21-32(36)42-38(50)10-5-19-47-42)30-7-1-2-8-31(30)35-9-3-4-18-46-35/h1-25H
InChIKeyCSZKSLJDYUTJQX-UHFFFAOYSA-N
XLogP10.83
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.72
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine (CID 144612645) is 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine is Fc1cnc2c3cc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)ccc3n(-c3ccc4oc5cccnc5c4c3)c2c1.
What is the InChIKey of 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is CSZKSLJDYUTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25FN6O/c45-27-22-39-43(49-25-27)33-23-28(13-16-37(33)51(39)29-14-17-40-34(24-29)44-41(52-40)11-6-20-48-44)50-36-15-12-26(21-32(36)42-38(50)10-5-19-47-42)30-7-1-2-8-31(30)35-9-3-4-18-46-35/h1-25H.
What are the key properties of 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 672.72 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 144612645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).