1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline

About 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline

1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline (PubChem CID 91214986) has the molecular formula C53H50N2 and a molecular weight of 715.00 g/mol. Its IUPAC name is 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name	1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
PubChem CID	91214986
Molecular Formula	C53H50N2
Molecular Weight	715.00 g/mol
Exact Mass	714.40
IUPAC Name	1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
SMILES	CC1(C)c2cc(C=Cc3ccc4c(c3)C3(CCCCC3)c3cc(N5CCCc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChI	InChI=1S/C53H50N2/c1-52(2)46-32-36(20-24-42(46)43-26-22-40(34-47(43)52)54-30-10-14-38-12-4-6-16-50(38)54)18-19-37-21-25-44-45-27-23-41(55-31-11-15-39-13-5-7-17-51(39)55)35-49(45)53(48(44)33-37)28-8-3-9-29-53/h4-7,12-13,16-27,32-35H,3,8-11,14-15,28-31H2,1-2H3
InChIKey	VIWGKIFUTIUCHQ-UHFFFAOYSA-N
XLogP	13.56
TPSA	6.48 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	55
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.00
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline (CID 91214986) is 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline is CC1(C)c2cc(C=Cc3ccc4c(c3)C3(CCCCC3)c3cc(N5CCCc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCc4ccccc43)cc21.

What is the InChIKey of 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

The InChIKey is VIWGKIFUTIUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N2/c1-52(2)46-32-36(20-24-42(46)43-26-22-40(34-47(43)52)54-30-10-14-38-12-4-6-16-50(38)54)18-19-37-21-25-44-45-27-23-41(55-31-11-15-39-13-5-7-17-51(39)55)35-49(45)53(48(44)33-37)28-8-3-9-29-53/h4-7,12-13,16-27,32-35H,3,8-11,14-15,28-31H2,1-2H3.

What are the key properties of 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 715.00 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 91214986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).