9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline

C27H26N2 — CID 145347618

IUPAC9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline
SMILESC/C=C\c1c(/C=C\C)n(C2C=CCCC2)c2ccc3ccc4cccnc4c3c12
InChIInChI=1S/C27H26N2/c1-3-9-22-23(10-4-2)29(21-12-6-5-7-13-21)24-17-16-19-14-15-20-11-8-18-28-27(20)25(19)26(22)24/h3-4,6,8-12,14-18,21H,5,7,13H2,1-2H3/b9-3-,10-4-
InChIKeyHTSYRHZCMPBOIM-UIYSNZQUSA-N
MW378.52 g/mol
LogP7.69
Rot. Bonds3

About 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline

9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline (PubChem CID 145347618) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline.

Molecular Properties

Compound Name9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline
PubChem CID145347618
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline
SMILESC/C=C\c1c(/C=C\C)n(C2C=CCCC2)c2ccc3ccc4cccnc4c3c12
InChIInChI=1S/C27H26N2/c1-3-9-22-23(10-4-2)29(21-12-6-5-7-13-21)24-17-16-19-14-15-20-11-8-18-28-27(20)25(19)26(22)24/h3-4,6,8-12,14-18,21H,5,7,13H2,1-2H3/b9-3-,10-4-
InChIKeyHTSYRHZCMPBOIM-UIYSNZQUSA-N
XLogP7.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole
CID 145347699
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
CID 142453532
2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole
CID 58456620
benzo[h]quinolin-10-olate
CID 101433150
ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline
CID 142062961
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline?
The IUPAC name of 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline (CID 145347618) is 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline.
What is the SMILES notation for 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline?
The canonical SMILES for 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline is C/C=C\c1c(/C=C\C)n(C2C=CCCC2)c2ccc3ccc4cccnc4c3c12.
What is the InChIKey of 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline?
The InChIKey is HTSYRHZCMPBOIM-UIYSNZQUSA-N. The full InChI is InChI=1S/C27H26N2/c1-3-9-22-23(10-4-2)29(21-12-6-5-7-13-21)24-17-16-19-14-15-20-11-8-18-28-27(20)25(19)26(22)24/h3-4,6,8-12,14-18,21H,5,7,13H2,1-2H3/b9-3-,10-4-.
What are the key properties of 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline?
9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline has a molecular weight of 378.52 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline is sourced from PubChem (CID 145347618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).