N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C60H41FN4 — CID 90297652

IUPACN-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCc1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)nn2c(-c3ccccc3)cc3ccc(F)cc3c12
InChIInChI=1S/C60H41FN4/c1-40-59(62-65-58(44-15-7-3-8-16-44)38-47-21-29-48(61)39-54(47)60(40)65)45-26-34-52(35-27-45)63(50-30-22-42(23-31-50)41-13-5-2-6-14-41)51-32-24-43(25-33-51)46-28-36-57-55(37-46)53-19-11-12-20-56(53)64(57)49-17-9-4-10-18-49/h2-39H,1H3
InChIKeyWVNSDDKGPNDEFR-UHFFFAOYSA-N
MW837.01 g/mol
LogP16.17
Rot. Bonds8

About N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 90297652) has the molecular formula C60H41FN4 and a molecular weight of 837.01 g/mol. Its IUPAC name is N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID90297652
Molecular FormulaC60H41FN4
Molecular Weight837.01 g/mol
Exact Mass836.33
IUPAC NameN-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCc1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)nn2c(-c3ccccc3)cc3ccc(F)cc3c12
InChIInChI=1S/C60H41FN4/c1-40-59(62-65-58(44-15-7-3-8-16-44)38-47-21-29-48(61)39-54(47)60(40)65)45-26-34-52(35-27-45)63(50-30-22-42(23-31-50)41-13-5-2-6-14-41)51-32-24-43(25-33-51)46-28-36-57-55(37-46)53-19-11-12-20-56(53)64(57)49-17-9-4-10-18-49/h2-39H,1H3
InChIKeyWVNSDDKGPNDEFR-UHFFFAOYSA-N
XLogP16.17
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.01
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 90297652) is N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is Cc1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)nn2c(-c3ccccc3)cc3ccc(F)cc3c12.
What is the InChIKey of N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is WVNSDDKGPNDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41FN4/c1-40-59(62-65-58(44-15-7-3-8-16-44)38-47-21-29-48(61)39-54(47)60(40)65)45-26-34-52(35-27-45)63(50-30-22-42(23-31-50)41-13-5-2-6-14-41)51-32-24-43(25-33-51)46-28-36-57-55(37-46)53-19-11-12-20-56(53)64(57)49-17-9-4-10-18-49/h2-39H,1H3.
What are the key properties of N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 837.01 g/mol, XLogP of 16.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-fluoro-1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 90297652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).