2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol

C34H23N3O2 — CID 154589986

IUPAC2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
SMILESOc1ccccc1-n1c2ccccc2c2ccc(-c3cc(Oc4ccccn4)cc(-c4ccccc4)c3)nc21
InChIInChI=1S/C34H23N3O2/c38-32-15-7-6-14-31(32)37-30-13-5-4-12-27(30)28-17-18-29(36-34(28)37)25-20-24(23-10-2-1-3-11-23)21-26(22-25)39-33-16-8-9-19-35-33/h1-22,38H
InChIKeyVRDLEFGAJFIOOP-UHFFFAOYSA-N
MW505.58 g/mol
LogP8.41
Rot. Bonds5

About 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol

2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol (PubChem CID 154589986) has the molecular formula C34H23N3O2 and a molecular weight of 505.58 g/mol. Its IUPAC name is 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol.

Molecular Properties

Compound Name2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
PubChem CID154589986
Molecular FormulaC34H23N3O2
Molecular Weight505.58 g/mol
Exact Mass505.18
IUPAC Name2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
SMILESOc1ccccc1-n1c2ccccc2c2ccc(-c3cc(Oc4ccccn4)cc(-c4ccccc4)c3)nc21
InChIInChI=1S/C34H23N3O2/c38-32-15-7-6-14-31(32)37-30-13-5-4-12-27(30)28-17-18-29(36-34(28)37)25-20-24(23-10-2-1-3-11-23)21-26(22-25)39-33-16-8-9-19-35-33/h1-22,38H
InChIKeyVRDLEFGAJFIOOP-UHFFFAOYSA-N
XLogP8.41
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-ethyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
CID 154590063
2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589883
platinum;2-[2-(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol
CID 154590213
2-[2-[6-(phenoxy)-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum
CID 154590125
2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589814
2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154590095
2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154590001
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
CID 176750374
2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589840
2-[2-[3-[2-[4-(4-tert-butylphenyl)-2-pyridinyl]propan-2-yl]phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589990
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750363

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol?
The IUPAC name of 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol (CID 154589986) is 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol.
What is the SMILES notation for 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol?
The canonical SMILES for 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol is Oc1ccccc1-n1c2ccccc2c2ccc(-c3cc(Oc4ccccn4)cc(-c4ccccc4)c3)nc21.
What is the InChIKey of 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol?
The InChIKey is VRDLEFGAJFIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O2/c38-32-15-7-6-14-31(32)37-30-13-5-4-12-27(30)28-17-18-29(36-34(28)37)25-20-24(23-10-2-1-3-11-23)21-26(22-25)39-33-16-8-9-19-35-33/h1-22,38H.
What are the key properties of 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol?
2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol has a molecular weight of 505.58 g/mol, XLogP of 8.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol is sourced from PubChem (CID 154589986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).