2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane

C51H77N5 — CID 163669764

IUPAC2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane
SMILESC1=CCC(C2CC(C3=CCCCC3)NC(C3CCC(C4CCC(C5NC(C6=CCCCC6)NC(C6CC=CCC6)N5)C5=C4CCCC5)C4=C3CCCC4)N2)CC1
InChIInChI=1S/C51H77N5/c1-5-17-34(18-6-1)46-33-47(35-19-7-2-8-20-35)53-50(52-46)44-31-29-42(38-25-13-15-27-40(38)44)43-30-32-45(41-28-16-14-26-39(41)43)51-55-48(36-21-9-3-10-22-36)54-49(56-51)37-23-11-4-12-24-37/h1,3,5,9,19,23,34,36,42-56H,2,4,6-8,10-18,20-22,24-33H2
InChIKeyCSWFGOMQSPSPSK-UHFFFAOYSA-N
MW760.21 g/mol
LogP10.90
Rot. Bonds7

About 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane

2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane (PubChem CID 163669764) has the molecular formula C51H77N5 and a molecular weight of 760.21 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane
PubChem CID163669764
Molecular FormulaC51H77N5
Molecular Weight760.21 g/mol
Exact Mass759.62
IUPAC Name2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane
SMILESC1=CCC(C2CC(C3=CCCCC3)NC(C3CCC(C4CCC(C5NC(C6=CCCCC6)NC(C6CC=CCC6)N5)C5=C4CCCC5)C4=C3CCCC4)N2)CC1
InChIInChI=1S/C51H77N5/c1-5-17-34(18-6-1)46-33-47(35-19-7-2-8-20-35)53-50(52-46)44-31-29-42(38-25-13-15-27-40(38)44)43-30-32-45(41-28-16-14-26-39(41)43)51-55-48(36-21-9-3-10-22-36)54-49(56-51)37-23-11-4-12-24-37/h1,3,5,9,19,23,34,36,42-56H,2,4,6-8,10-18,20-22,24-33H2
InChIKeyCSWFGOMQSPSPSK-UHFFFAOYSA-N
XLogP10.90
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.21
LogP ≤ 510.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane?
The IUPAC name of 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane (CID 163669764) is 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane is C1=CCC(C2CC(C3=CCCCC3)NC(C3CCC(C4CCC(C5NC(C6=CCCCC6)NC(C6CC=CCC6)N5)C5=C4CCCC5)C4=C3CCCC4)N2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane?
The InChIKey is CSWFGOMQSPSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H77N5/c1-5-17-34(18-6-1)46-33-47(35-19-7-2-8-20-35)53-50(52-46)44-31-29-42(38-25-13-15-27-40(38)44)43-30-32-45(41-28-16-14-26-39(41)43)51-55-48(36-21-9-3-10-22-36)54-49(56-51)37-23-11-4-12-24-37/h1,3,5,9,19,23,34,36,42-56H,2,4,6-8,10-18,20-22,24-33H2.
What are the key properties of 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane?
2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane has a molecular weight of 760.21 g/mol, XLogP of 10.90, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-6-[4-[4-[4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3-diazinan-2-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-1,3,5-triazinane is sourced from PubChem (CID 163669764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).