9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene

C94H62Br2 — CID 158287393

IUPAC9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene
SMILESBrc1c2ccccc2c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc12.Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.C=Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C34H21Br.C34H24.C26H17Br/c35-34-29-20-10-8-18-27(29)33(28-19-9-11-21-30(28)34)32-25-16-6-4-14-23(25)31(22-12-2-1-3-13-22)24-15-5-7-17-26(24)32;1-2-24-16-18-25(19-17-24)26-20-22-28(23-21-26)34-31-14-8-6-12-29(31)33(27-10-4-3-5-11-27)30-13-7-9-15-32(30)34;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26/h1-21H;2-23H,1H2;1-17H
InChIKeyGKYCWUIBHKRACM-UHFFFAOYSA-N
MW1351.34 g/mol
LogP28.12
Rot. Bonds8

About 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene

9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene (PubChem CID 158287393) has the molecular formula C94H62Br2 and a molecular weight of 1351.34 g/mol. Its IUPAC name is 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene.

Molecular Properties

Compound Name9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene
PubChem CID158287393
Molecular FormulaC94H62Br2
Molecular Weight1351.34 g/mol
Exact Mass1348.32
IUPAC Name9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene
SMILESBrc1c2ccccc2c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc12.Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.C=Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C34H21Br.C34H24.C26H17Br/c35-34-29-20-10-8-18-27(29)33(28-19-9-11-21-30(28)34)32-25-16-6-4-14-23(25)31(22-12-2-1-3-13-22)24-15-5-7-17-26(24)32;1-2-24-16-18-25(19-17-24)26-20-22-28(23-21-26)34-31-14-8-6-12-29(31)33(27-10-4-3-5-11-27)30-13-7-9-15-32(30)34;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26/h1-21H;2-23H,1H2;1-17H
InChIKeyGKYCWUIBHKRACM-UHFFFAOYSA-N
XLogP28.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.34
LogP ≤ 528.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
CID 23574112
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-(4-ethenylphenyl)-10-naphthalen-2-ylanthracene
CID 86076120
1-bromo-4-ethenylbenzene;prop-2-enylbenzene
CID 162084429
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 88909395
1-bromo-4-ethenylbenzene;ethane
CID 144688744

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene?
The IUPAC name of 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene (CID 158287393) is 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene.
What is the SMILES notation for 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene?
The canonical SMILES for 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene is Brc1c2ccccc2c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc12.Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.C=Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene?
The InChIKey is GKYCWUIBHKRACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21Br.C34H24.C26H17Br/c35-34-29-20-10-8-18-27(29)33(28-19-9-11-21-30(28)34)32-25-16-6-4-14-23(25)31(22-12-2-1-3-13-22)24-15-5-7-17-26(24)32;1-2-24-16-18-25(19-17-24)26-20-22-28(23-21-26)34-31-14-8-6-12-29(31)33(27-10-4-3-5-11-27)30-13-7-9-15-32(30)34;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26/h1-21H;2-23H,1H2;1-17H.
What are the key properties of 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene?
9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene has a molecular weight of 1351.34 g/mol, XLogP of 28.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(10-phenylanthracen-9-yl)anthracene;9-(4-bromophenyl)-10-phenylanthracene;9-[4-(4-ethenylphenyl)phenyl]-10-phenylanthracene is sourced from PubChem (CID 158287393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).