1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine

C37H34N6O — CID 153414281

About 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine (PubChem CID 153414281) has the molecular formula C37H34N6O and a molecular weight of 578.72 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
• PubChem CID: 153414281
• Molecular Formula: C37H34N6O
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.28
• IUPAC Name: 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
• SMILES: Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(N(C)C)cccc6N(C)C)cn5)c4)cc32)c1
• InChI: InChI=1S/C37H34N6O/c1-25-18-19-38-36(20-25)43-32-13-7-6-12-30(32)31-17-16-29(22-35(31)43)44-28-11-8-10-27(21-28)42-24-26(23-39-42)37-33(40(2)3)14-9-15-34(37)41(4)5/h6-24H,1-5H3
• InChIKey: FDEUBWZFSSVIQS-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 51.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine?

The IUPAC name of 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine (CID 153414281) is 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine.

What is the SMILES notation for 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine?

The canonical SMILES for 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine is Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(N(C)C)cccc6N(C)C)cn5)c4)cc32)c1.

What is the InChIKey of 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine?

The InChIKey is FDEUBWZFSSVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N6O/c1-25-18-19-38-36(20-25)43-32-13-7-6-12-30(32)31-17-16-29(22-35(31)43)44-28-11-8-10-27(21-28)42-24-26(23-39-42)37-33(40(2)3)14-9-15-34(37)41(4)5/h6-24H,1-5H3.

What are the key properties of 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine?

1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine has a molecular weight of 578.72 g/mol, XLogP of 8.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine is sourced from PubChem (CID 153414281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).