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

C51H39N3 — CID 90297662

IUPAC9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1c(-c2ccccc2)nn2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc3ccccc3c12
InChIInChI=1S/C51H39N3/c1-34-49(38-16-8-5-9-17-38)52-54-48(32-39-18-10-11-19-43(39)50(34)54)37-24-28-41(29-25-37)53(40-26-22-36(23-27-40)35-14-6-4-7-15-35)42-30-31-45-44-20-12-13-21-46(44)51(2,3)47(45)33-42/h4-33H,1-3H3
InChIKeyVYNDAIZOROVSAO-UHFFFAOYSA-N
MW693.89 g/mol
LogP13.57
Rot. Bonds6

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

9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 90297662) has the molecular formula C51H39N3 and a molecular weight of 693.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID90297662
Molecular FormulaC51H39N3
Molecular Weight693.89 g/mol
Exact Mass693.31
IUPAC Name9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1c(-c2ccccc2)nn2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc3ccccc3c12
InChIInChI=1S/C51H39N3/c1-34-49(38-16-8-5-9-17-38)52-54-48(32-39-18-10-11-19-43(39)50(34)54)37-24-28-41(29-25-37)53(40-26-22-36(23-27-40)35-14-6-4-7-15-35)42-30-31-45-44-20-12-13-21-46(44)51(2,3)47(45)33-42/h4-33H,1-3H3
InChIKeyVYNDAIZOROVSAO-UHFFFAOYSA-N
XLogP13.57
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90297213
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
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
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-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297804
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-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297226
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
N-(9,9-dimethylfluoren-2-yl)-2,5-diphenyl-N-(9-phenylcarbazol-3-yl)pyrazolo[5,1-a]isoquinolin-1-amine
CID 90297453
9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 90297662) is 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is Cc1c(-c2ccccc2)nn2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc3ccccc3c12.
What is the InChIKey of 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VYNDAIZOROVSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3/c1-34-49(38-16-8-5-9-17-38)52-54-48(32-39-18-10-11-19-43(39)50(34)54)37-24-28-41(29-25-37)53(40-26-22-36(23-27-40)35-14-6-4-7-15-35)42-30-31-45-44-20-12-13-21-46(44)51(2,3)47(45)33-42/h4-33H,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 693.89 g/mol, XLogP of 13.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 90297662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).