2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol

C51H69NO — CID 130349410

IUPAC2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol
SMILESC/C(=C\CCC1C2C=CCCC2N1C1=CC(C2C=CC3c4ccccc4C(C)(C)C3C2)CC(C2=CCCCC2)C1)C1CCC(C2CC=CCC2)C(O)C1
InChIInChI=1S/C51H69NO/c1-34(37-25-27-42(50(53)33-37)36-18-8-5-9-19-36)15-14-24-49-45-21-11-13-23-48(45)52(49)41-30-39(35-16-6-4-7-17-35)29-40(31-41)38-26-28-44-43-20-10-12-22-46(43)51(2,3)47(44)32-38/h5,8,10-12,15-16,20-22,26,28,31,36-40,42,44-45,47-50,53H,4,6-7,9,13-14,17-19,23-25,27,29-30,32-33H2,1-3H3/b34-15+
InChIKeyHUZZSMBHFHGGMZ-PUHLOBNQSA-N
MW712.12 g/mol
LogP12.54
Rot. Bonds8

About 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol

2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol (PubChem CID 130349410) has the molecular formula C51H69NO and a molecular weight of 712.12 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol
PubChem CID130349410
Molecular FormulaC51H69NO
Molecular Weight712.12 g/mol
Exact Mass711.54
IUPAC Name2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol
SMILESC/C(=C\CCC1C2C=CCCC2N1C1=CC(C2C=CC3c4ccccc4C(C)(C)C3C2)CC(C2=CCCCC2)C1)C1CCC(C2CC=CCC2)C(O)C1
InChIInChI=1S/C51H69NO/c1-34(37-25-27-42(50(53)33-37)36-18-8-5-9-19-36)15-14-24-49-45-21-11-13-23-48(45)52(49)41-30-39(35-16-6-4-7-17-35)29-40(31-41)38-26-28-44-43-20-10-12-22-46(43)51(2,3)47(44)32-38/h5,8,10-12,15-16,20-22,26,28,31,36-40,42,44-45,47-50,53H,4,6-7,9,13-14,17-19,23-25,27,29-30,32-33H2,1-3H3/b34-15+
InChIKeyHUZZSMBHFHGGMZ-PUHLOBNQSA-N
XLogP12.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.12
LogP ≤ 512.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol (CID 130349410) is 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol is C/C(=C\CCC1C2C=CCCC2N1C1=CC(C2C=CC3c4ccccc4C(C)(C)C3C2)CC(C2=CCCCC2)C1)C1CCC(C2CC=CCC2)C(O)C1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol?
The InChIKey is HUZZSMBHFHGGMZ-PUHLOBNQSA-N. The full InChI is InChI=1S/C51H69NO/c1-34(37-25-27-42(50(53)33-37)36-18-8-5-9-19-36)15-14-24-49-45-21-11-13-23-48(45)52(49)41-30-39(35-16-6-4-7-17-35)29-40(31-41)38-26-28-44-43-20-10-12-22-46(43)51(2,3)47(44)32-38/h5,8,10-12,15-16,20-22,26,28,31,36-40,42,44-45,47-50,53H,4,6-7,9,13-14,17-19,23-25,27,29-30,32-33H2,1-3H3/b34-15+.
What are the key properties of 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol?
2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol has a molecular weight of 712.12 g/mol, XLogP of 12.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-5-[(E)-5-[7-[5-(cyclohexen-1-yl)-3-(9,9-dimethyl-1,2,4a,9a-tetrahydrofluoren-2-yl)cyclohexen-1-yl]-7-azabicyclo[4.2.0]oct-2-en-8-yl]pent-2-en-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 130349410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).