9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene

C42H28Br2 — CID 142672624

IUPAC9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
SMILESBrc1ccc(C=Cc2ccc(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(Br)cc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H28Br2/c43-35-25-17-31(18-26-35)11-9-29-13-21-33(22-14-29)41-37-5-1-2-6-38(37)42(40-8-4-3-7-39(40)41)34-23-15-30(16-24-34)10-12-32-19-27-36(44)28-20-32/h1-28H
InChIKeyUMKHSJIWJQNFNX-UHFFFAOYSA-N
MW692.49 g/mol
LogP13.19
Rot. Bonds6

About 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene

9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene (PubChem CID 142672624) has the molecular formula C42H28Br2 and a molecular weight of 692.49 g/mol. Its IUPAC name is 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
PubChem CID142672624
Molecular FormulaC42H28Br2
Molecular Weight692.49 g/mol
Exact Mass690.06
IUPAC Name9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
SMILESBrc1ccc(C=Cc2ccc(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(Br)cc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H28Br2/c43-35-25-17-31(18-26-35)11-9-29-13-21-33(22-14-29)41-37-5-1-2-6-38(37)42(40-8-4-3-7-39(40)41)34-23-15-30(16-24-34)10-12-32-19-27-36(44)28-20-32/h1-28H
InChIKeyUMKHSJIWJQNFNX-UHFFFAOYSA-N
XLogP13.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.49
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene
CID 158287393
9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 58402256
1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983474
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
9-phenyl-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123602270
9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123215007
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
2-bromo-9,10-diphenylanthracene
CID 22247163

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene?
The IUPAC name of 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene (CID 142672624) is 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene is Brc1ccc(C=Cc2ccc(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(Br)cc5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene?
The InChIKey is UMKHSJIWJQNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28Br2/c43-35-25-17-31(18-26-35)11-9-29-13-21-33(22-14-29)41-37-5-1-2-6-38(37)42(40-8-4-3-7-39(40)41)34-23-15-30(16-24-34)10-12-32-19-27-36(44)28-20-32/h1-28H.
What are the key properties of 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene?
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene has a molecular weight of 692.49 g/mol, XLogP of 13.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 142672624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).