9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole

C44H27FN6 — CID 58099056

IUPAC9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole
SMILESFc1cc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cccnc65)cc4)n3)n2)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C44H27FN6/c45-30-25-29(26-32(27-30)51-42-18-4-2-10-34(42)36-12-8-24-47-44(36)51)38-14-6-16-40(49-38)39-15-5-13-37(48-39)28-19-21-31(22-20-28)50-41-17-3-1-9-33(41)35-11-7-23-46-43(35)50/h1-27H
InChIKeyVHJXRKOJCPHIPK-UHFFFAOYSA-N
MW658.74 g/mol
LogP10.60
Rot. Bonds5

About 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole

9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole (PubChem CID 58099056) has the molecular formula C44H27FN6 and a molecular weight of 658.74 g/mol. Its IUPAC name is 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole
PubChem CID58099056
Molecular FormulaC44H27FN6
Molecular Weight658.74 g/mol
Exact Mass658.23
IUPAC Name9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole
SMILESFc1cc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cccnc65)cc4)n3)n2)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C44H27FN6/c45-30-25-29(26-32(27-30)51-42-18-4-2-10-34(42)36-12-8-24-47-44(36)51)38-14-6-16-40(49-38)39-15-5-13-37(48-39)28-19-21-31(22-20-28)50-41-17-3-1-9-33(41)35-11-7-23-46-43(35)50/h1-27H
InChIKeyVHJXRKOJCPHIPK-UHFFFAOYSA-N
XLogP10.60
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.74
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole (CID 58099056) is 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole is Fc1cc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cccnc65)cc4)n3)n2)cc(-n2c3ccccc3c3cccnc32)c1.
What is the InChIKey of 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole?
The InChIKey is VHJXRKOJCPHIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27FN6/c45-30-25-29(26-32(27-30)51-42-18-4-2-10-34(42)36-12-8-24-47-44(36)51)38-14-6-16-40(49-38)39-15-5-13-37(48-39)28-19-21-31(22-20-28)50-41-17-3-1-9-33(41)35-11-7-23-46-43(35)50/h1-27H.
What are the key properties of 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole?
9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole has a molecular weight of 658.74 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-fluoro-5-[6-[6-(4-pyrido[2,3-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 58099056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).