9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C57H43N3 — CID 90297231

IUPAC9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1c(-c2ccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C57H43N3/c1-38-55(58-60-54(42-17-8-5-9-18-42)36-45-19-10-11-22-49(45)56(38)60)43-27-25-41(26-28-43)44-20-14-21-47(35-44)59(46-31-29-40(30-32-46)39-15-6-4-7-16-39)48-33-34-51-50-23-12-13-24-52(50)57(2,3)53(51)37-48/h4-37H,1-3H3
InChIKeyYNFCIXHCFAWVQL-UHFFFAOYSA-N
MW769.99 g/mol
LogP15.24
Rot. Bonds7

About 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 90297231) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID90297231
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC Name9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1c(-c2ccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C57H43N3/c1-38-55(58-60-54(42-17-8-5-9-18-42)36-45-19-10-11-22-49(45)56(38)60)43-27-25-41(26-28-43)44-20-14-21-47(35-44)59(46-31-29-40(30-32-46)39-15-6-4-7-16-39)48-33-34-51-50-23-12-13-24-52(50)57(2,3)53(51)37-48/h4-37H,1-3H3
InChIKeyYNFCIXHCFAWVQL-UHFFFAOYSA-N
XLogP15.24
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90297662
9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90297213
9,9-dimethyl-N-[3-[3-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90297192
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]fluoren-2-amine
CID 90297235
N-[3-[3-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297637
9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 90297215
N-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297804
N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297226
N-(9,9-dimethylfluoren-2-yl)-2,5-diphenyl-N-(9-phenylcarbazol-3-yl)pyrazolo[5,1-a]isoquinolin-1-amine
CID 90297453
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 90297231) is 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is Cc1c(-c2ccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2)nn2c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is YNFCIXHCFAWVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-38-55(58-60-54(42-17-8-5-9-18-42)36-45-19-10-11-22-49(45)56(38)60)43-27-25-41(26-28-43)44-20-14-21-47(35-44)59(46-31-29-40(30-32-46)39-15-6-4-7-16-39)48-33-34-51-50-23-12-13-24-52(50)57(2,3)53(51)37-48/h4-37H,1-3H3.
What are the key properties of 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 769.99 g/mol, XLogP of 15.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[3-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 90297231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).