N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine

C50H48N2 — CID 142385258

IUPACN-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine
SMILESC=C/C=C\C(=C/C)C(=C)/C=C(N=C)/C(C=C)=C/CC.CCc1ccc(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C32H25N.C18H23N/c1-2-23-15-17-24(18-16-23)25-19-20-30-28(22-25)27-12-6-7-13-29(27)32(30,26-10-4-3-5-11-26)31-14-8-9-21-33-31;1-7-11-13-16(9-3)15(5)14-18(19-6)17(10-4)12-8-2/h3-22H,2H2,1H3;7,9-14H,1,4-6,8H2,2-3H3/b;13-11-,16-9+,17-12+,18-14-
InChIKeyRXDWDGTWQPDJKL-NTXQSYQBSA-N
MW676.95 g/mol
LogP13.01
Rot. Bonds12

About N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine

N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine (PubChem CID 142385258) has the molecular formula C50H48N2 and a molecular weight of 676.95 g/mol. Its IUPAC name is N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine.

Molecular Properties

Compound NameN-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine
PubChem CID142385258
Molecular FormulaC50H48N2
Molecular Weight676.95 g/mol
Exact Mass676.38
IUPAC NameN-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine
SMILESC=C/C=C\C(=C/C)C(=C)/C=C(N=C)/C(C=C)=C/CC.CCc1ccc(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C32H25N.C18H23N/c1-2-23-15-17-24(18-16-23)25-19-20-30-28(22-25)27-12-6-7-13-29(27)32(30,26-10-4-3-5-11-26)31-14-8-9-21-33-31;1-7-11-13-16(9-3)15(5)14-18(19-6)17(10-4)12-8-2/h3-22H,2H2,1H3;7,9-14H,1,4-6,8H2,2-3H3/b;13-11-,16-9+,17-12+,18-14-
InChIKeyRXDWDGTWQPDJKL-NTXQSYQBSA-N
XLogP13.01
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.95
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine with MolForge

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Related Compounds

2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
CID 142385134
3-[3-(4-ethylphenyl)phenyl]-9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9-phenylfluorene
CID 142385277
2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
CID 142384952
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
3,9,9-triphenylfluorene
CID 140844354
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene
CID 144938511
2-[(9-phenyl-9-pyridin-2-ylfluoren-2-yl)methylsulfanyl]aniline
CID 145384387
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
2-[9-phenyl-3-(10-phenyl-10-pyridin-2-ylspiro[anthracene-9,9'-fluorene]-2-yl)oxyspiro[anthracene-10,9'-fluorene]-9-yl]pyridine
CID 140743379
ethane;2-[2-[(2E,4Z,6E)-7-[(4Z)-2-methylhepta-2,4-dien-3-yl]sulfanylhepta-2,4,6-trien-2-yl]-9-phenylfluoren-9-yl]pyridine
CID 142385314
4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane
CID 159780690

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine?
The IUPAC name of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine (CID 142385258) is N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine.
What is the SMILES notation for N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine?
The canonical SMILES for N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine is C=C/C=C\C(=C/C)C(=C)/C=C(N=C)/C(C=C)=C/CC.CCc1ccc(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine?
The InChIKey is RXDWDGTWQPDJKL-NTXQSYQBSA-N. The full InChI is InChI=1S/C32H25N.C18H23N/c1-2-23-15-17-24(18-16-23)25-19-20-30-28(22-25)27-12-6-7-13-29(27)32(30,26-10-4-3-5-11-26)31-14-8-9-21-33-31;1-7-11-13-16(9-3)15(5)14-18(19-6)17(10-4)12-8-2/h3-22H,2H2,1H3;7,9-14H,1,4-6,8H2,2-3H3/b;13-11-,16-9+,17-12+,18-14-.
What are the key properties of N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine?
N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine has a molecular weight of 676.95 g/mol, XLogP of 13.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine is sourced from PubChem (CID 142385258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).