(5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole

C56H59N3 — CID 142288030

IUPAC(5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole
SMILESC=C/C=C1C(=C/C)\N(C)C(C=C)=C(/C=C\C)C\1(C)C.C=C/C=C\C=C/c1ccc(C)cc1-c1ccccc1N.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C19H15N.C19H19N.C18H25N/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-3-4-5-6-9-16-13-12-15(2)14-18(16)17-10-7-8-11-19(17)20;1-8-12-14-16(10-3)19(7)17(11-4)15(13-9-2)18(14,5)6/h2-13H,1H3;3-14H,1,20H2,2H3;8-13H,1,4H2,2-3,5-7H3/b;5-4-,9-6-;13-9-,14-12+,16-10+
InChIKeyDYJJQYCOAJTFLD-XSXWMCPESA-N
MW774.11 g/mol
LogP15.08
Rot. Bonds8

About (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole

(5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole (PubChem CID 142288030) has the molecular formula C56H59N3 and a molecular weight of 774.11 g/mol. Its IUPAC name is (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name(5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole
PubChem CID142288030
Molecular FormulaC56H59N3
Molecular Weight774.11 g/mol
Exact Mass773.47
IUPAC Name(5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole
SMILESC=C/C=C1C(=C/C)\N(C)C(C=C)=C(/C=C\C)C\1(C)C.C=C/C=C\C=C/c1ccc(C)cc1-c1ccccc1N.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C19H15N.C19H19N.C18H25N/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-3-4-5-6-9-16-13-12-15(2)14-18(16)17-10-7-8-11-19(17)20;1-8-12-14-16(10-3)19(7)17(11-4)15(13-9-2)18(14,5)6/h2-13H,1H3;3-14H,1,20H2,2H3;8-13H,1,4H2,2-3,5-7H3/b;5-4-,9-6-;13-9-,14-12+,16-10+
InChIKeyDYJJQYCOAJTFLD-XSXWMCPESA-N
XLogP15.08
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.11
LogP ≤ 515.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole with MolForge

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Related Compounds

ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole
CID 142288278
(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole
CID 142288109
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole
CID 144919572
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
2-methyl-9-phenylcarbazole
CID 59552741
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine
CID 174102073

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole?
The IUPAC name of (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole (CID 142288030) is (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole.
What is the SMILES notation for (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole?
The canonical SMILES for (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole is C=C/C=C1C(=C/C)\N(C)C(C=C)=C(/C=C\C)C\1(C)C.C=C/C=C\C=C/c1ccc(C)cc1-c1ccccc1N.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole?
The InChIKey is DYJJQYCOAJTFLD-XSXWMCPESA-N. The full InChI is InChI=1S/C19H15N.C19H19N.C18H25N/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-3-4-5-6-9-16-13-12-15(2)14-18(16)17-10-7-8-11-19(17)20;1-8-12-14-16(10-3)19(7)17(11-4)15(13-9-2)18(14,5)6/h2-13H,1H3;3-14H,1,20H2,2H3;8-13H,1,4H2,2-3,5-7H3/b;5-4-,9-6-;13-9-,14-12+,16-10+.
What are the key properties of (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole?
(5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole has a molecular weight of 774.11 g/mol, XLogP of 15.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole is sourced from PubChem (CID 142288030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).