2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol

C40H28N4O — CID 154589814

IUPAC2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
SMILESOc1ccccc1-n1c2ccccc2c2ccc(-c3cccc(N(c4ccccc4)c4cc(-c5ccccc5)ccn4)c3)nc21
InChIInChI=1S/C40H28N4O/c45-38-21-10-9-20-37(38)44-36-19-8-7-18-33(36)34-22-23-35(42-40(34)44)30-14-11-17-32(26-30)43(31-15-5-2-6-16-31)39-27-29(24-25-41-39)28-12-3-1-4-13-28/h1-27,45H
InChIKeyNOSJJOAFLVJILU-UHFFFAOYSA-N
MW580.69 g/mol
LogP10.08
Rot. Bonds6

About 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol

2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol (PubChem CID 154589814) has the molecular formula C40H28N4O and a molecular weight of 580.69 g/mol. Its IUPAC name is 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol.

Molecular Properties

Compound Name2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
PubChem CID154589814
Molecular FormulaC40H28N4O
Molecular Weight580.69 g/mol
Exact Mass580.23
IUPAC Name2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
SMILESOc1ccccc1-n1c2ccccc2c2ccc(-c3cccc(N(c4ccccc4)c4cc(-c5ccccc5)ccn4)c3)nc21
InChIInChI=1S/C40H28N4O/c45-38-21-10-9-20-37(38)44-36-19-8-7-18-33(36)34-22-23-35(42-40(34)44)30-14-11-17-32(26-30)43(31-15-5-2-6-16-31)39-27-29(24-25-41-39)28-12-3-1-4-13-28/h1-27,45H
InChIKeyNOSJJOAFLVJILU-UHFFFAOYSA-N
XLogP10.08
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589840
2,4-di(propan-2-yl)-6-[2-[3-(N-pyridin-2-ylanilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154590089
2-[2-[3-[2-[4-(4-tert-butylphenyl)-2-pyridinyl]propan-2-yl]phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589990
2-[2-[3-[(4-ethyl-2-pyridinyl)oxy]phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589883
2-[2-(3-phenyl-5-pyridin-2-yloxyphenyl)pyrido[2,3-b]indol-9-yl]phenol
CID 154589986
2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
CID 176750374
6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine
CID 59194555
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750363
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?
The IUPAC name of 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol (CID 154589814) is 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol.
What is the SMILES notation for 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?
The canonical SMILES for 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol is Oc1ccccc1-n1c2ccccc2c2ccc(-c3cccc(N(c4ccccc4)c4cc(-c5ccccc5)ccn4)c3)nc21.
What is the InChIKey of 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?
The InChIKey is NOSJJOAFLVJILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O/c45-38-21-10-9-20-37(38)44-36-19-8-7-18-33(36)34-22-23-35(42-40(34)44)30-14-11-17-32(26-30)43(31-15-5-2-6-16-31)39-27-29(24-25-41-39)28-12-3-1-4-13-28/h1-27,45H.
What are the key properties of 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol?
2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol has a molecular weight of 580.69 g/mol, XLogP of 10.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(N-(4-phenyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol is sourced from PubChem (CID 154589814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).