N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline

C34H30BrN — CID 58611380

IUPACN-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline
SMILESCCc1cccc(N(c2ccc(/C=C/c3cccc4cccc(Br)c34)cc2)c2cccc(CC)c2)c1
InChIInChI=1S/C34H30BrN/c1-3-25-9-5-14-31(23-25)36(32-15-6-10-26(4-2)24-32)30-21-18-27(19-22-30)17-20-29-12-7-11-28-13-8-16-33(35)34(28)29/h5-24H,3-4H2,1-2H3/b20-17+
InChIKeySWOKDNHVOYSCHW-LVZFUZTISA-N
MW532.53 g/mol
LogP10.37
Rot. Bonds7

About N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline

N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline (PubChem CID 58611380) has the molecular formula C34H30BrN and a molecular weight of 532.53 g/mol. Its IUPAC name is N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline
PubChem CID58611380
Molecular FormulaC34H30BrN
Molecular Weight532.53 g/mol
Exact Mass531.16
IUPAC NameN-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline
SMILESCCc1cccc(N(c2ccc(/C=C/c3cccc4cccc(Br)c34)cc2)c2cccc(CC)c2)c1
InChIInChI=1S/C34H30BrN/c1-3-25-9-5-14-31(23-25)36(32-15-6-10-26(4-2)24-32)30-21-18-27(19-22-30)17-20-29-12-7-11-28-13-8-16-33(35)34(28)29/h5-24H,3-4H2,1-2H3/b20-17+
InChIKeySWOKDNHVOYSCHW-LVZFUZTISA-N
XLogP10.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline?
The IUPAC name of N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline (CID 58611380) is N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline.
What is the SMILES notation for N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline?
The canonical SMILES for N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline is CCc1cccc(N(c2ccc(/C=C/c3cccc4cccc(Br)c34)cc2)c2cccc(CC)c2)c1.
What is the InChIKey of N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline?
The InChIKey is SWOKDNHVOYSCHW-LVZFUZTISA-N. The full InChI is InChI=1S/C34H30BrN/c1-3-25-9-5-14-31(23-25)36(32-15-6-10-26(4-2)24-32)30-21-18-27(19-22-30)17-20-29-12-7-11-28-13-8-16-33(35)34(28)29/h5-24H,3-4H2,1-2H3/b20-17+.
What are the key properties of N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline?
N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline has a molecular weight of 532.53 g/mol, XLogP of 10.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(8-bromonaphthalen-1-yl)ethenyl]phenyl]-3-ethyl-N-(3-ethylphenyl)aniline is sourced from PubChem (CID 58611380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).