6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine

C30H44N2 — CID 155419551

About 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine

6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine (PubChem CID 155419551) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine.

Molecular Properties

• Compound Name: 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine
• PubChem CID: 155419551
• Molecular Formula: C30H44N2
• Molecular Weight: 432.70 g/mol
• Exact Mass: 432.35
• IUPAC Name: 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine
• SMILES: C/C=C\C(CCC)C1=CCC(C2C=C(C3C=CC=CC3)NC(C3CC=CCC3)N2C)CC1
• InChI: InChI=1S/C30H44N2/c1-4-12-23(13-5-2)24-18-20-26(21-19-24)29-22-28(25-14-8-6-9-15-25)31-30(32(29)3)27-16-10-7-11-17-27/h4,6-10,12,14,18,22-23,25-27,29-31H,5,11,13,15-17,19-21H2,1-3H3/b12-4-
• InChIKey: FCWGXLRTLONASU-QCDXTXTGSA-N
• XLogP: 7.31
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.70
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine?

The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine (CID 155419551) is 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine.

What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine?

The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine is C/C=C\C(CCC)C1=CCC(C2C=C(C3C=CC=CC3)NC(C3CC=CCC3)N2C)CC1.

What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine?

The InChIKey is FCWGXLRTLONASU-QCDXTXTGSA-N. The full InChI is InChI=1S/C30H44N2/c1-4-12-23(13-5-2)24-18-20-26(21-19-24)29-22-28(25-14-8-6-9-15-25)31-30(32(29)3)27-16-10-7-11-17-27/h4,6-10,12,14,18,22-23,25-27,29-31H,5,11,13,15-17,19-21H2,1-3H3/b12-4-.

What are the key properties of 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine?

6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine has a molecular weight of 432.70 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine is sourced from PubChem (CID 155419551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).