2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine

C32H29N5 — CID 158471728

About 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine (PubChem CID 158471728) has the molecular formula C32H29N5 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine
• PubChem CID: 158471728
• Molecular Formula: C32H29N5
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.24
• IUPAC Name: 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine
• SMILES: Cc1ccnc(-n2c3ccccc3c3ccc(-c4cccc(N(C)c5cc(N(C)C)ccn5)c4)cc32)c1
• InChI: InChI=1S/C32H29N5/c1-22-14-16-34-32(18-22)37-29-11-6-5-10-27(29)28-13-12-24(20-30(28)37)23-8-7-9-26(19-23)36(4)31-21-25(35(2)3)15-17-33-31/h5-21H,1-4H3
• InChIKey: BOBRUFJCZBDYOS-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine?

The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine (CID 158471728) is 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine.

What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine?

The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine is Cc1ccnc(-n2c3ccccc3c3ccc(-c4cccc(N(C)c5cc(N(C)C)ccn5)c4)cc32)c1.

What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine?

The InChIKey is BOBRUFJCZBDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5/c1-22-14-16-34-32(18-22)37-29-11-6-5-10-27(29)28-13-12-24(20-30(28)37)23-8-7-9-26(19-23)36(4)31-21-25(35(2)3)15-17-33-31/h5-21H,1-4H3.

What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine?

2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine has a molecular weight of 483.62 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 158471728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).