6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine

C38H27N5 — CID 164939367

IUPAC6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6cn[nH]c6)cc5)c5ccc(-c6cn[nH]c6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C38H27N5/c1-2-4-29-19-30(6-5-26(29)3-1)31-7-8-33-21-38(18-13-32(33)20-31)43(36-14-9-27(10-15-36)34-22-39-40-23-34)37-16-11-28(12-17-37)35-24-41-42-25-35/h1-25H,(H,39,40)(H,41,42)
InChIKeyQHZPBCUDZDPZAQ-UHFFFAOYSA-N
MW553.67 g/mol
LogP9.91
Rot. Bonds6

About 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine

6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine (PubChem CID 164939367) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine
PubChem CID164939367
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC Name6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6cn[nH]c6)cc5)c5ccc(-c6cn[nH]c6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C38H27N5/c1-2-4-29-19-30(6-5-26(29)3-1)31-7-8-33-21-38(18-13-32(33)20-31)43(36-14-9-27(10-15-36)34-22-39-40-23-34)37-16-11-28(12-17-37)35-24-41-42-25-35/h1-25H,(H,39,40)(H,41,42)
InChIKeyQHZPBCUDZDPZAQ-UHFFFAOYSA-N
XLogP9.91
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine 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 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine?
The IUPAC name of 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine (CID 164939367) is 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine is c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6cn[nH]c6)cc5)c5ccc(-c6cn[nH]c6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine?
The InChIKey is QHZPBCUDZDPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-2-4-29-19-30(6-5-26(29)3-1)31-7-8-33-21-38(18-13-32(33)20-31)43(36-14-9-27(10-15-36)34-22-39-40-23-34)37-16-11-28(12-17-37)35-24-41-42-25-35/h1-25H,(H,39,40)(H,41,42).
What are the key properties of 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine?
6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine has a molecular weight of 553.67 g/mol, XLogP of 9.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-N,N-bis[4-(1H-pyrazol-4-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 164939367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).