7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole

C38H52N4 — CID 134416402

IUPAC7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole
SMILESC1=CC2=C(CC1)C1=CC3C4C=CCCC4N(C4CC=CCC4)C3CC1N2C1=NC2CCCCC2NC1C1CCCCC1
InChIInChI=1S/C38H52N4/c1-3-13-25(14-4-1)37-38(40-32-20-10-9-19-31(32)39-37)42-34-22-12-8-18-28(34)30-23-29-27-17-7-11-21-33(27)41(35(29)24-36(30)42)26-15-5-2-6-16-26/h2,5,7,12,17,22-23,25-27,29,31-33,35-37,39H,1,3-4,6,8-11,13-16,18-21,24H2
InChIKeyNWPVRPXEQFZDDK-UHFFFAOYSA-N
MW564.86 g/mol
LogP7.61
Rot. Bonds2

About 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole

7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole (PubChem CID 134416402) has the molecular formula C38H52N4 and a molecular weight of 564.86 g/mol. Its IUPAC name is 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole
PubChem CID134416402
Molecular FormulaC38H52N4
Molecular Weight564.86 g/mol
Exact Mass564.42
IUPAC Name7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole
SMILESC1=CC2=C(CC1)C1=CC3C4C=CCCC4N(C4CC=CCC4)C3CC1N2C1=NC2CCCCC2NC1C1CCCCC1
InChIInChI=1S/C38H52N4/c1-3-13-25(14-4-1)37-38(40-32-20-10-9-19-31(32)39-37)42-34-22-12-8-18-28(34)30-23-29-27-17-7-11-21-33(27)41(35(29)24-36(30)42)26-15-5-2-6-16-26/h2,5,7,12,17,22-23,25-27,29,31-33,35-37,39H,1,3-4,6,8-11,13-16,18-21,24H2
InChIKeyNWPVRPXEQFZDDK-UHFFFAOYSA-N
XLogP7.61
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole?
The IUPAC name of 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole (CID 134416402) is 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole?
The canonical SMILES for 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole is C1=CC2=C(CC1)C1=CC3C4C=CCCC4N(C4CC=CCC4)C3CC1N2C1=NC2CCCCC2NC1C1CCCCC1.
What is the InChIKey of 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole?
The InChIKey is NWPVRPXEQFZDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52N4/c1-3-13-25(14-4-1)37-38(40-32-20-10-9-19-31(32)39-37)42-34-22-12-8-18-28(34)30-23-29-27-17-7-11-21-33(27)41(35(29)24-36(30)42)26-15-5-2-6-16-26/h2,5,7,12,17,22-23,25-27,29,31-33,35-37,39H,1,3-4,6,8-11,13-16,18-21,24H2.
What are the key properties of 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole?
7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole has a molecular weight of 564.86 g/mol, XLogP of 7.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohex-3-en-1-yl-5-(3-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl)-1,2,5a,6,6a,7a,8,9,11a,11b-decahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 134416402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).