N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide

C51H48N2 — CID 146384821

IUPACN'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(/N=C(/N=C(\C)c1cccc2ccccc12)C1=CCCC=C1)c1ccc(C2(c3ccc(-c4ccc(C5=CCCC=C5)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C51H48N2/c1-37(52-50(45-18-8-4-9-19-45)53-38(2)48-22-14-20-44-17-10-11-21-49(44)48)39-27-31-46(32-28-39)51(35-12-5-13-36-51)47-33-29-43(30-34-47)42-25-23-41(24-26-42)40-15-6-3-7-16-40/h6,8,10-11,14-34H,1,3-5,7,9,12-13,35-36H2,2H3/b52-50+,53-38+
InChIKeyRNHNQTSPIZVUTN-MSERQHDRSA-N
MW688.96 g/mol
LogP13.65
Rot. Bonds8

About N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide

N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide (PubChem CID 146384821) has the molecular formula C51H48N2 and a molecular weight of 688.96 g/mol. Its IUPAC name is N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide
PubChem CID146384821
Molecular FormulaC51H48N2
Molecular Weight688.96 g/mol
Exact Mass688.38
IUPAC NameN'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(/N=C(/N=C(\C)c1cccc2ccccc12)C1=CCCC=C1)c1ccc(C2(c3ccc(-c4ccc(C5=CCCC=C5)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C51H48N2/c1-37(52-50(45-18-8-4-9-19-45)53-38(2)48-22-14-20-44-17-10-11-21-49(44)48)39-27-31-46(32-28-39)51(35-12-5-13-36-51)47-33-29-43(30-34-47)42-25-23-41(24-26-42)40-15-6-3-7-16-40/h6,8,10-11,14-34H,1,3-5,7,9,12-13,35-36H2,2H3/b52-50+,53-38+
InChIKeyRNHNQTSPIZVUTN-MSERQHDRSA-N
XLogP13.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.96
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide (CID 146384821) is N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide is C=C(/N=C(/N=C(\C)c1cccc2ccccc12)C1=CCCC=C1)c1ccc(C2(c3ccc(-c4ccc(C5=CCCC=C5)cc4)cc3)CCCCC2)cc1.
What is the InChIKey of N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is RNHNQTSPIZVUTN-MSERQHDRSA-N. The full InChI is InChI=1S/C51H48N2/c1-37(52-50(45-18-8-4-9-19-45)53-38(2)48-22-14-20-44-17-10-11-21-49(44)48)39-27-31-46(32-28-39)51(35-12-5-13-36-51)47-33-29-43(30-34-47)42-25-23-41(24-26-42)40-15-6-3-7-16-40/h6,8,10-11,14-34H,1,3-5,7,9,12-13,35-36H2,2H3/b52-50+,53-38+.
What are the key properties of N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide?
N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 688.96 g/mol, XLogP of 13.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 146384821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).