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

C63H46N4 — CID 90297215

IUPAC9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCc1c(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C63H46N4/c1-41-61(64-67-60(43-16-6-4-7-17-43)39-46-18-10-11-21-51(46)62(41)67)44-28-33-49(34-29-44)65(50-35-36-53-52-22-12-14-24-56(52)63(2,3)57(53)40-50)48-31-26-42(27-32-48)45-30-37-59-55(38-45)54-23-13-15-25-58(54)66(59)47-19-8-5-9-20-47/h4-40H,1-3H3
InChIKeyVKEOJBCXMFXKID-UHFFFAOYSA-N
MW859.09 g/mol
LogP16.67
Rot. Bonds7

About 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

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 (PubChem CID 90297215) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
PubChem CID90297215
Molecular FormulaC63H46N4
Molecular Weight859.09 g/mol
Exact Mass858.37
IUPAC Name9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCc1c(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C63H46N4/c1-41-61(64-67-60(43-16-6-4-7-17-43)39-46-18-10-11-21-51(46)62(41)67)44-28-33-49(34-29-44)65(50-35-36-53-52-22-12-14-24-56(52)63(2,3)57(53)40-50)48-31-26-42(27-32-48)45-30-37-59-55(38-45)54-23-13-15-25-58(54)66(59)47-19-8-5-9-20-47/h4-40H,1-3H3
InChIKeyVKEOJBCXMFXKID-UHFFFAOYSA-N
XLogP16.67
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.09
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
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-[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-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
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)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)nn2c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of 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?
The InChIKey is VKEOJBCXMFXKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-41-61(64-67-60(43-16-6-4-7-17-43)39-46-18-10-11-21-51(46)62(41)67)44-28-33-49(34-29-44)65(50-35-36-53-52-22-12-14-24-56(52)63(2,3)57(53)40-50)48-31-26-42(27-32-48)45-30-37-59-55(38-45)54-23-13-15-25-58(54)66(59)47-19-8-5-9-20-47/h4-40H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 859.09 g/mol, XLogP of 16.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90297215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).