2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene

C40H27Br — CID 59801175

IUPAC2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
SMILESBrc1ccc2cc(/C=C/c3ccc4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc4c3)ccc2c1
InChIInChI=1S/C40H27Br/c41-40-20-19-33-22-29(14-16-36(33)27-40)12-11-28-13-15-34-23-35(18-17-32(34)21-28)39-25-37(30-7-3-1-4-8-30)24-38(26-39)31-9-5-2-6-10-31/h1-27H/b12-11+
InChIKeyCONDDBKYVAPEDX-VAWYXSNFSA-N
MW587.56 g/mol
LogP11.93
Rot. Bonds5

About 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene

2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene (PubChem CID 59801175) has the molecular formula C40H27Br and a molecular weight of 587.56 g/mol. Its IUPAC name is 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
PubChem CID59801175
Molecular FormulaC40H27Br
Molecular Weight587.56 g/mol
Exact Mass586.13
IUPAC Name2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
SMILESBrc1ccc2cc(/C=C/c3ccc4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc4c3)ccc2c1
InChIInChI=1S/C40H27Br/c41-40-20-19-33-22-29(14-16-36(33)27-40)12-11-28-13-15-34-23-35(18-17-32(34)21-28)39-25-37(30-7-3-1-4-8-30)24-38(26-39)31-9-5-2-6-10-31/h1-27H/b12-11+
InChIKeyCONDDBKYVAPEDX-VAWYXSNFSA-N
XLogP11.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.56
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72565715
2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565666
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171457187
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
2-(2,3,4,5-tetraphenylphenyl)-6-[(E)-2-[6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 59801158
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2,7-diphenylanthracene
CID 154020316
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
6-(4-phenylphenyl)naphthalene-2-carbaldehyde
CID 59801235
2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde
CID 159798770
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene?
The IUPAC name of 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene (CID 59801175) is 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene?
The canonical SMILES for 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene is Brc1ccc2cc(/C=C/c3ccc4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc4c3)ccc2c1.
What is the InChIKey of 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene?
The InChIKey is CONDDBKYVAPEDX-VAWYXSNFSA-N. The full InChI is InChI=1S/C40H27Br/c41-40-20-19-33-22-29(14-16-36(33)27-40)12-11-28-13-15-34-23-35(18-17-32(34)21-28)39-25-37(30-7-3-1-4-8-30)24-38(26-39)31-9-5-2-6-10-31/h1-27H/b12-11+.
What are the key properties of 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene?
2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene has a molecular weight of 587.56 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(E)-2-[6-(3,5-diphenylphenyl)naphthalen-2-yl]ethenyl]naphthalene is sourced from PubChem (CID 59801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).