6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C30H23N5 — CID 90940883

IUPAC6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)nc2[nH]ncc12
InChIInChI=1S/C30H23N5/c31-27-26-20-32-35-28(26)34-29(33-27)30(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25-18-10-13-22(19-25)21-11-4-1-5-12-21/h1-20H,(H3,31,32,33,34,35)
InChIKeyJOYZPFYBVYKEMQ-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.98
Rot. Bonds5

About 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 90940883) has the molecular formula C30H23N5 and a molecular weight of 453.55 g/mol. Its IUPAC name is 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID90940883
Molecular FormulaC30H23N5
Molecular Weight453.55 g/mol
Exact Mass453.20
IUPAC Name6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)nc2[nH]ncc12
InChIInChI=1S/C30H23N5/c31-27-26-20-32-35-28(26)34-29(33-27)30(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25-18-10-13-22(19-25)21-11-4-1-5-12-21/h1-20H,(H3,31,32,33,34,35)
InChIKeyJOYZPFYBVYKEMQ-UHFFFAOYSA-N
XLogP5.98
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-phenyl-1H-pyrazolo[5,4-b]pyridin-4-amine
CID 105463991
4-(3-tritylphenyl)pyridine
CID 174423529
6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171305
5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline
CID 90817428
1-(3-phenylphenyl)ethane-1,1-diamine
CID 174427406
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
9-[4-carbazol-9-yl-6-(3-tritylphenyl)-1,3,5-triazin-2-yl]carbazole;9-(4-carbazol-9-yl-6-trityl-1,3,5-triazin-2-yl)carbazole;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylsilane
CID 160690451
4-chloro-1H-pyrazolo[3,4-b]quinoline
CID 22417971
(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol
CID 90791688
4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 61394933
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381
1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
CID 176748618

Frequently Asked Questions

What is the IUPAC name of 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 90940883) is 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)nc2[nH]ncc12.
What is the InChIKey of 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JOYZPFYBVYKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5/c31-27-26-20-32-35-28(26)34-29(33-27)30(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25-18-10-13-22(19-25)21-11-4-1-5-12-21/h1-20H,(H3,31,32,33,34,35).
What are the key properties of 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 453.55 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90940883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).