5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione

C52H43NO2 — CID 144559149

IUPAC5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione
SMILESC=CC1=C(/C=C\C)c2ccc(N/C=C(/C=C\C=C/c3ccc4cc(C=C5C(=O)c6cc(C=C)c(C=C)cc6C5=O)ccc4c3)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C52H43NO2/c1-7-16-43-44-26-25-42(32-49(44)52(5,6)48(43)10-4)53-33-41(38-18-12-11-13-19-38)20-15-14-17-34-21-23-40-28-35(22-24-39(40)27-34)29-47-50(54)45-30-36(8-2)37(9-3)31-46(45)51(47)55/h7-33,53H,2-4H2,1,5-6H3/b16-7-,17-14-,20-15-,41-33-
InChIKeyVQUVPPZSDBNTFG-PAVLXOFJSA-N
MW713.92 g/mol
LogP13.12
Rot. Bonds11

About 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione

5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione (PubChem CID 144559149) has the molecular formula C52H43NO2 and a molecular weight of 713.92 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione
PubChem CID144559149
Molecular FormulaC52H43NO2
Molecular Weight713.92 g/mol
Exact Mass713.33
IUPAC Name5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione
SMILESC=CC1=C(/C=C\C)c2ccc(N/C=C(/C=C\C=C/c3ccc4cc(C=C5C(=O)c6cc(C=C)c(C=C)cc6C5=O)ccc4c3)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C52H43NO2/c1-7-16-43-44-26-25-42(32-49(44)52(5,6)48(43)10-4)53-33-41(38-18-12-11-13-19-38)20-15-14-17-34-21-23-40-28-35(22-24-39(40)27-34)29-47-50(54)45-30-36(8-2)37(9-3)31-46(45)51(47)55/h7-33,53H,2-4H2,1,5-6H3/b16-7-,17-14-,20-15-,41-33-
InChIKeyVQUVPPZSDBNTFG-PAVLXOFJSA-N
XLogP13.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 513.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione with MolForge

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Related Compounds

ethane;2-ethenyl-N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-amine
CID 153374290
2-[[6-[7-[(1,3-dioxoinden-2-ylidene)methyl]-9,9-dimethylfluoren-2-yl]naphthalen-2-yl]methylidene]indene-1,3-dione
CID 170366098
4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
CID 129111188
N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide
CID 167210755
N-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 142541223
1-[7-[(E)-2-[2-ethenyl-3,3-diphenyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071530
(1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine
CID 145021286
3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 153369602
2-[[6-(N-(9,9-dimethylfluoren-2-yl)-2,4,6-trimethylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 58175046
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione?
The IUPAC name of 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione (CID 144559149) is 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione is C=CC1=C(/C=C\C)c2ccc(N/C=C(/C=C\C=C/c3ccc4cc(C=C5C(=O)c6cc(C=C)c(C=C)cc6C5=O)ccc4c3)c3ccccc3)cc2C1(C)C.
What is the InChIKey of 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione?
The InChIKey is VQUVPPZSDBNTFG-PAVLXOFJSA-N. The full InChI is InChI=1S/C52H43NO2/c1-7-16-43-44-26-25-42(32-49(44)52(5,6)48(43)10-4)53-33-41(38-18-12-11-13-19-38)20-15-14-17-34-21-23-40-28-35(22-24-39(40)27-34)29-47-50(54)45-30-36(8-2)37(9-3)31-46(45)51(47)55/h7-33,53H,2-4H2,1,5-6H3/b16-7-,17-14-,20-15-,41-33-.
What are the key properties of 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione?
5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione has a molecular weight of 713.92 g/mol, XLogP of 13.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 144559149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).