3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline

C38H34N6 — CID 129294382

About 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline

3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline (PubChem CID 129294382) has the molecular formula C38H34N6 and a molecular weight of 574.73 g/mol. Its IUPAC name is 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline.

Molecular Properties

• Compound Name: 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline
• PubChem CID: 129294382
• Molecular Formula: C38H34N6
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.28
• IUPAC Name: 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline
• SMILES: C=Nc1cccc(-c2nc(-c3cccc(N(C(=C)/C=C\C)C(=C)/C=C\C)c3)nc(-c3cccc4ncccc34)n2)c1/C=C\C
• InChI: InChI=1S/C38H34N6/c1-7-14-26(4)44(27(5)15-8-2)29-18-10-17-28(25-29)36-41-37(32-19-11-22-34(39-6)30(32)16-9-3)43-38(42-36)33-20-12-23-35-31(33)21-13-24-40-35/h7-25H,4-6H2,1-3H3/b14-7-,15-8-,16-9-
• InChIKey: DIROKQULVHECSZ-FNGKUAQTSA-N
• XLogP: 9.77
• TPSA: 67.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline?

The IUPAC name of 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline (CID 129294382) is 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline.

What is the SMILES notation for 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline?

The canonical SMILES for 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline is C=Nc1cccc(-c2nc(-c3cccc(N(C(=C)/C=C\C)C(=C)/C=C\C)c3)nc(-c3cccc4ncccc34)n2)c1/C=C\C.

What is the InChIKey of 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline?

The InChIKey is DIROKQULVHECSZ-FNGKUAQTSA-N. The full InChI is InChI=1S/C38H34N6/c1-7-14-26(4)44(27(5)15-8-2)29-18-10-17-28(25-29)36-41-37(32-19-11-22-34(39-6)30(32)16-9-3)43-38(42-36)33-20-12-23-35-31(33)21-13-24-40-35/h7-25H,4-6H2,1-3H3/b14-7-,15-8-,16-9-.

What are the key properties of 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline?

3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline has a molecular weight of 574.73 g/mol, XLogP of 9.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]-N,N-bis[(3Z)-penta-1,3-dien-2-yl]aniline is sourced from PubChem (CID 129294382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).