[3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol

C56H43NO — CID 143190445

IUPAC[3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol
SMILESC=C(/C=C\c1ccc2ccc(-c3ccccc3)cc2c1C)c1cccc(-c2cccc(-c3cccc(C(O)/N=C4\CC=Cc5ccc(-c6ccccc6)cc54)c3)c2)c1
InChIInChI=1S/C56H43NO/c1-38(25-26-40-27-28-44-30-32-50(36-53(44)39(40)2)41-13-5-3-6-14-41)45-18-9-19-46(33-45)47-20-10-21-48(34-47)49-22-11-23-52(35-49)56(58)57-55-24-12-17-43-29-31-51(37-54(43)55)42-15-7-4-8-16-42/h3-23,25-37,56,58H,1,24H2,2H3/b26-25-,57-55+
InChIKeyZOBOEUQOUMIEQP-SVHVGKCMSA-N
MW745.97 g/mol
LogP14.44
Rot. Bonds9

About [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol

[3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol (PubChem CID 143190445) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol.

Molecular Properties

Compound Name[3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol
PubChem CID143190445
Molecular FormulaC56H43NO
Molecular Weight745.97 g/mol
Exact Mass745.33
IUPAC Name[3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol
SMILESC=C(/C=C\c1ccc2ccc(-c3ccccc3)cc2c1C)c1cccc(-c2cccc(-c3cccc(C(O)/N=C4\CC=Cc5ccc(-c6ccccc6)cc54)c3)c2)c1
InChIInChI=1S/C56H43NO/c1-38(25-26-40-27-28-44-30-32-50(36-53(44)39(40)2)41-13-5-3-6-14-41)45-18-9-19-46(33-45)47-20-10-21-48(34-47)49-22-11-23-52(35-49)56(58)57-55-24-12-17-43-29-31-51(37-54(43)55)42-15-7-4-8-16-42/h3-23,25-37,56,58H,1,24H2,2H3/b26-25-,57-55+
InChIKeyZOBOEUQOUMIEQP-SVHVGKCMSA-N
XLogP14.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 514.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol with MolForge

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Related Compounds

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CID 155931216
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Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol?
The IUPAC name of [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol (CID 143190445) is [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol.
What is the SMILES notation for [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol?
The canonical SMILES for [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol is C=C(/C=C\c1ccc2ccc(-c3ccccc3)cc2c1C)c1cccc(-c2cccc(-c3cccc(C(O)/N=C4\CC=Cc5ccc(-c6ccccc6)cc54)c3)c2)c1.
What is the InChIKey of [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol?
The InChIKey is ZOBOEUQOUMIEQP-SVHVGKCMSA-N. The full InChI is InChI=1S/C56H43NO/c1-38(25-26-40-27-28-44-30-32-50(36-53(44)39(40)2)41-13-5-3-6-14-41)45-18-9-19-46(33-45)47-20-10-21-48(34-47)49-22-11-23-52(35-49)56(58)57-55-24-12-17-43-29-31-51(37-54(43)55)42-15-7-4-8-16-42/h3-23,25-37,56,58H,1,24H2,2H3/b26-25-,57-55+.
What are the key properties of [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol?
[3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol has a molecular weight of 745.97 g/mol, XLogP of 14.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-[(3Z)-4-(1-methyl-7-phenylnaphthalen-2-yl)buta-1,3-dien-2-yl]phenyl]phenyl]phenyl]-[(E)-(7-phenyl-2H-naphthalen-1-ylidene)amino]methanol is sourced from PubChem (CID 143190445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).