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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-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
SMILESC/C=C\C(CCC)C1=CCC(C2C=C(C3C=CC=CC3)NC(C3CC=CCC3)N2C)CC1
InChIInChI=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-
InChIKeyFCWGXLRTLONASU-QCDXTXTGSA-N
MW432.70 g/mol
LogP7.31
Rot. Bonds7

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 Name6-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 CID155419551
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Name6-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
SMILESC/C=C\C(CCC)C1=CCC(C2C=C(C3C=CC=CC3)NC(C3CC=CCC3)N2C)CC1
InChIInChI=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-
InChIKeyFCWGXLRTLONASU-QCDXTXTGSA-N
XLogP7.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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).

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