N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C47H32FN3 — CID 121296382

IUPACN-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESFc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C47H32FN3/c48-39-30-38(31-43(32-39)51-46-16-8-7-14-44(46)45-15-9-29-49-47(45)51)37-21-27-42(28-22-37)50(40-23-17-35(18-24-40)33-10-3-1-4-11-33)41-25-19-36(20-26-41)34-12-5-2-6-13-34/h1-32H
InChIKeyDOQBYWWVMGIDNF-UHFFFAOYSA-N
MW657.79 g/mol
LogP12.79
Rot. Bonds7

About N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121296382) has the molecular formula C47H32FN3 and a molecular weight of 657.79 g/mol. Its IUPAC name is N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121296382
Molecular FormulaC47H32FN3
Molecular Weight657.79 g/mol
Exact Mass657.26
IUPAC NameN-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESFc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C47H32FN3/c48-39-30-38(31-43(32-39)51-46-16-8-7-14-44(46)45-15-9-29-49-47(45)51)37-21-27-42(28-22-37)50(40-23-17-35(18-24-40)33-10-3-1-4-11-33)41-25-19-36(20-26-41)34-12-5-2-6-13-34/h1-32H
InChIKeyDOQBYWWVMGIDNF-UHFFFAOYSA-N
XLogP12.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.79
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 121296382) is N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Fc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc(-n2c3ccccc3c3cccnc32)c1.
What is the InChIKey of N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is DOQBYWWVMGIDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32FN3/c48-39-30-38(31-43(32-39)51-46-16-8-7-14-44(46)45-15-9-29-49-47(45)51)37-21-27-42(28-22-37)50(40-23-17-35(18-24-40)33-10-3-1-4-11-33)41-25-19-36(20-26-41)34-12-5-2-6-13-34/h1-32H.
What are the key properties of N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 657.79 g/mol, XLogP of 12.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-5-pyrido[2,3-b]indol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121296382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).