methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene

C52H49NO — CID 142293526

IUPACmethanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene
SMILESC/C=C/C=C\C(=C/C=C/Cc1ccccc1)c1ccccc1.C=C1CC/C=C\c2ccccc2C12c1cc(N)ccc1-c1cc3ccccc3cc12.CO
InChIInChI=1S/C29H23N.C22H22.CH4O/c1-19-8-2-3-9-20-10-6-7-13-26(20)29(19)27-17-22-12-5-4-11-21(22)16-25(27)24-15-14-23(30)18-28(24)29;1-2-3-6-16-21(22-17-9-5-10-18-22)19-12-11-15-20-13-7-4-8-14-20;1-2/h3-7,9-18H,1-2,8,30H2;2-14,16-19H,15H2,1H3;2H,1H3/b9-3-;3-2+,12-11+,16-6-,21-19+;
InChIKeyPEJUKKZPNPSWKA-VMFKIBFNSA-N
MW703.97 g/mol
LogP12.71
Rot. Bonds6

About methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene

methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene (PubChem CID 142293526) has the molecular formula C52H49NO and a molecular weight of 703.97 g/mol. Its IUPAC name is methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene.

Molecular Properties

Compound Namemethanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene
PubChem CID142293526
Molecular FormulaC52H49NO
Molecular Weight703.97 g/mol
Exact Mass703.38
IUPAC Namemethanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene
SMILESC/C=C/C=C\C(=C/C=C/Cc1ccccc1)c1ccccc1.C=C1CC/C=C\c2ccccc2C12c1cc(N)ccc1-c1cc3ccccc3cc12.CO
InChIInChI=1S/C29H23N.C22H22.CH4O/c1-19-8-2-3-9-20-10-6-7-13-26(20)29(19)27-17-22-12-5-4-11-21(22)16-25(27)24-15-14-23(30)18-28(24)29;1-2-3-6-16-21(22-17-9-5-10-18-22)19-12-11-15-20-13-7-4-8-14-20;1-2/h3-7,9-18H,1-2,8,30H2;2-14,16-19H,15H2,1H3;2H,1H3/b9-3-;3-2+,12-11+,16-6-,21-19+;
InChIKeyPEJUKKZPNPSWKA-VMFKIBFNSA-N
XLogP12.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.97
LogP ≤ 512.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene with MolForge

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Related Compounds

7,7-diphenyl-1,2-dihydrobenzo[g]fluoren-9-amine
CID 143561090
(2Z,4E,6E,8E)-5-[3-[(5E,7'Z,9'Z)-5-(aminomethylidene)-6'-methylidenespiro[8H-benzo[7]annulene-9,5'-benzo[8]annulene]-2-yl]phenyl]-8,10-diphenyldeca-2,4,6,8-tetraen-1-amine;methanol
CID 145412776
ethane;(1Z,3Z,5E)-hepta-1,3,5-trien-1-amine;methanol;2-[4-[4-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-3-[(3Z,5Z,10Z)-1-methyl-2,7-dimethylidenecyclododeca-3,5,10-trien-1-yl]naphthalene;4-phenylaniline
CID 142293449
4-phenyl-N-[(1E,3E,5Z)-4-phenyl-6-(2'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-6-yl)hexa-1,3,5-trienyl]aniline
CID 145144933
2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine
CID 135199373
aniline;1-[(Z)-but-1-enyl]-4-[(3Z)-5-[4-[(1Z,3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraenyl]phenyl]hexa-1,3,5-trien-2-yl]benzene;ethane;N-[(E)-prop-1-enyl]-7,8-dihydronaphthalen-1-amine
CID 143600990
N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine
CID 145291722
7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
CID 146215867
N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 143268704
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline
CID 118145847
2-[(11Z)-6-[(2E,4E,6E,8Z)-9-amino-1,7-diphenylnona-2,4,6,8-tetraen-3-yl]-9-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]phenyl]-10-methylidene-9-tricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,11,13,15-heptaenyl]aniline
CID 142293423
4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol
CID 143230203

Frequently Asked Questions

What is the IUPAC name of methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene?
The IUPAC name of methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene (CID 142293526) is methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene.
What is the SMILES notation for methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene?
The canonical SMILES for methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene is C/C=C/C=C\C(=C/C=C/Cc1ccccc1)c1ccccc1.C=C1CC/C=C\c2ccccc2C12c1cc(N)ccc1-c1cc3ccccc3cc12.CO.
What is the InChIKey of methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene?
The InChIKey is PEJUKKZPNPSWKA-VMFKIBFNSA-N. The full InChI is InChI=1S/C29H23N.C22H22.CH4O/c1-19-8-2-3-9-20-10-6-7-13-26(20)29(19)27-17-22-12-5-4-11-21(22)16-25(27)24-15-14-23(30)18-28(24)29;1-2-3-6-16-21(22-17-9-5-10-18-22)19-12-11-15-20-13-7-4-8-14-20;1-2/h3-7,9-18H,1-2,8,30H2;2-14,16-19H,15H2,1H3;2H,1H3/b9-3-;3-2+,12-11+,16-6-,21-19+;.
What are the key properties of methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene?
methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene has a molecular weight of 703.97 g/mol, XLogP of 12.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(9Z)-6-methylidenespiro[7,8-dihydrobenzo[8]annulene-5,11'-benzo[b]fluorene]-2'-amine;[(2E,4E,6Z,8E)-1-phenyldeca-2,4,6,8-tetraen-5-yl]benzene is sourced from PubChem (CID 142293526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).