N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide

C48H35BrN2 — CID 145327293

IUPACN'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(-c4cccc5cc(Br)ccc45)cccc3c2)cc1)c1ccccc1
InChIInChI=1S/C48H35BrN2/c49-42-27-29-44-41(32-42)14-8-16-46(44)45-15-7-13-40-31-39(26-28-43(40)45)36-22-24-37(25-23-36)47(51-48(50)38-11-5-2-6-12-38)30-19-33-17-20-35(21-18-33)34-9-3-1-4-10-34/h1-18,20-32H,19H2,(H2,50,51)/b47-30-
InChIKeyOJZGGWRZESFQPN-AQYQVBIESA-N
MW719.73 g/mol
LogP12.75
Rot. Bonds8

About N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide

N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide (PubChem CID 145327293) has the molecular formula C48H35BrN2 and a molecular weight of 719.73 g/mol. Its IUPAC name is N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide
PubChem CID145327293
Molecular FormulaC48H35BrN2
Molecular Weight719.73 g/mol
Exact Mass718.20
IUPAC NameN'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(-c4cccc5cc(Br)ccc45)cccc3c2)cc1)c1ccccc1
InChIInChI=1S/C48H35BrN2/c49-42-27-29-44-41(32-42)14-8-16-46(44)45-15-7-13-40-31-39(26-28-43(40)45)36-22-24-37(25-23-36)47(51-48(50)38-11-5-2-6-12-38)30-19-33-17-20-35(21-18-33)34-9-3-1-4-10-34/h1-18,20-32H,19H2,(H2,50,51)/b47-30-
InChIKeyOJZGGWRZESFQPN-AQYQVBIESA-N
XLogP12.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.73
LogP ≤ 512.75
H-Bond Donors ≤ 51
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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Related Compounds

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CID 144680677
N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide (CID 145327293) is N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide is N/C(=N\C(=C/Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(-c4cccc5cc(Br)ccc45)cccc3c2)cc1)c1ccccc1.
What is the InChIKey of N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
The InChIKey is OJZGGWRZESFQPN-AQYQVBIESA-N. The full InChI is InChI=1S/C48H35BrN2/c49-42-27-29-44-41(32-42)14-8-16-46(44)45-15-7-13-40-31-39(26-28-43(40)45)36-22-24-37(25-23-36)47(51-48(50)38-11-5-2-6-12-38)30-19-33-17-20-35(21-18-33)34-9-3-1-4-10-34/h1-18,20-32H,19H2,(H2,50,51)/b47-30-.
What are the key properties of N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide has a molecular weight of 719.73 g/mol, XLogP of 12.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 145327293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).