8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

C38H24FN5 — CID 59609531

IUPAC8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1ccc2c(c1)c1ncccc1n2-c1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccnc3)n2)n1
InChIInChI=1S/C38H24FN5/c39-30-17-18-35-31(23-30)38-36(11-6-20-41-38)44(35)37-12-4-10-32(43-37)34-22-29(21-33(42-34)28-9-5-19-40-24-28)27-15-13-26(14-16-27)25-7-2-1-3-8-25/h1-24H
InChIKeyGUXCHYCRAMSMQZ-UHFFFAOYSA-N
MW569.64 g/mol
LogP9.17
Rot. Bonds5

About 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59609531) has the molecular formula C38H24FN5 and a molecular weight of 569.64 g/mol. Its IUPAC name is 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59609531
Molecular FormulaC38H24FN5
Molecular Weight569.64 g/mol
Exact Mass569.20
IUPAC Name8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1ccc2c(c1)c1ncccc1n2-c1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccnc3)n2)n1
InChIInChI=1S/C38H24FN5/c39-30-17-18-35-31(23-30)38-36(11-6-20-41-38)44(35)37-12-4-10-32(43-37)34-22-29(21-33(42-34)28-9-5-19-40-24-28)27-15-13-26(14-16-27)25-7-2-1-3-8-25/h1-24H
InChIKeyGUXCHYCRAMSMQZ-UHFFFAOYSA-N
XLogP9.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59609531) is 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is Fc1ccc2c(c1)c1ncccc1n2-c1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccnc3)n2)n1.
What is the InChIKey of 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is GUXCHYCRAMSMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24FN5/c39-30-17-18-35-31(23-30)38-36(11-6-20-41-38)44(35)37-12-4-10-32(43-37)34-22-29(21-33(42-34)28-9-5-19-40-24-28)27-15-13-26(14-16-27)25-7-2-1-3-8-25/h1-24H.
What are the key properties of 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 569.64 g/mol, XLogP of 9.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[6-[4-(4-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59609531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).