1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene

C108H73B2Br5O4 — CID 157421557

IUPAC1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene
SMILESBrc1ccc(-c2cccc3c(Br)cccc23)cc1.Brc1cccc2c(Br)cccc12.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.OB(O)c1ccc(Br)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H36.C20H15BO2.C16H10Br2.C10H6Br2.C6H6BBrO2/c1-3-17-38(18-4-1)53-45-21-7-9-23-47(45)55(48-24-10-8-22-46(48)53)40-35-33-37(34-36-40)41-29-15-31-43-42(41)30-16-32-44(43)56-51-27-13-11-25-49(51)54(39-19-5-2-6-20-39)50-26-12-14-28-52(50)56;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;17-12-9-7-11(8-10-12)13-3-1-5-15-14(13)4-2-6-16(15)18;11-9-5-1-3-7-8(9)4-2-6-10(7)12;8-6-3-1-5(2-4-6)7(9)10/h1-36H;1-13,22-23H;1-10H;1-6H;1-4,9-10H
InChIKeyBPLUTLWLPDMFSL-UHFFFAOYSA-N
MW1855.91 g/mol
LogP29.65
Rot. Bonds9

About 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene

1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene (PubChem CID 157421557) has the molecular formula C108H73B2Br5O4 and a molecular weight of 1855.91 g/mol. Its IUPAC name is 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene.

Molecular Properties

Compound Name1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene
PubChem CID157421557
Molecular FormulaC108H73B2Br5O4
Molecular Weight1855.91 g/mol
Exact Mass1850.16
IUPAC Name1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene
SMILESBrc1ccc(-c2cccc3c(Br)cccc23)cc1.Brc1cccc2c(Br)cccc12.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.OB(O)c1ccc(Br)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H36.C20H15BO2.C16H10Br2.C10H6Br2.C6H6BBrO2/c1-3-17-38(18-4-1)53-45-21-7-9-23-47(45)55(48-24-10-8-22-46(48)53)40-35-33-37(34-36-40)41-29-15-31-43-42(41)30-16-32-44(43)56-51-27-13-11-25-49(51)54(39-19-5-2-6-20-39)50-26-12-14-28-52(50)56;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;17-12-9-7-11(8-10-12)13-3-1-5-15-14(13)4-2-6-16(15)18;11-9-5-1-3-7-8(9)4-2-6-10(7)12;8-6-3-1-5(2-4-6)7(9)10/h1-36H;1-13,22-23H;1-10H;1-6H;1-4,9-10H
InChIKeyBPLUTLWLPDMFSL-UHFFFAOYSA-N
XLogP29.65
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001855.91
LogP ≤ 529.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene with MolForge

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Related Compounds

N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine
CID 158028545
9-bromo-10-(4-tritylphenyl)anthracene;9,10-dibromoanthracene;(4-tritylphenyl)boronic acid
CID 157410687
anthracen-9-ylboronic acid;9-(4-anthracen-9-ylphenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-bromo-10-[4-[10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]anthracene;9-(4-bromophenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene;phenylboronic acid
CID 159688362
9-bromoanthracene;9-bromo-10-(4-phenylphenyl)anthracene;9-(4-phenylphenyl)anthracene;(4-phenylphenyl)boronic acid
CID 161175388
2,6-dibromonaphthalene;[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]boronic acid;9-(6-phenylnaphthalen-2-yl)-10-[6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 162087825
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
[2,3-bis(ethenyl)-4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]boronic acid;1-bromophenanthrene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-1-ylanthracene
CID 160812396
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
3'-bromospiro[benzo[a]phenalene-7,9'-fluorene];(10-phenylanthracen-9-yl)boronic acid;3'-(10-phenylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]
CID 160996451
2-bromo-1,5-diphenylnaphthalene
CID 151219603
[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid
CID 23160232
(10-phenylanthracen-9-yl)boronic acid;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate
CID 157486361

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene?
The IUPAC name of 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene (CID 157421557) is 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene.
What is the SMILES notation for 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene?
The canonical SMILES for 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene is Brc1ccc(-c2cccc3c(Br)cccc23)cc1.Brc1cccc2c(Br)cccc12.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.OB(O)c1ccc(Br)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene?
The InChIKey is BPLUTLWLPDMFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36.C20H15BO2.C16H10Br2.C10H6Br2.C6H6BBrO2/c1-3-17-38(18-4-1)53-45-21-7-9-23-47(45)55(48-24-10-8-22-46(48)53)40-35-33-37(34-36-40)41-29-15-31-43-42(41)30-16-32-44(43)56-51-27-13-11-25-49(51)54(39-19-5-2-6-20-39)50-26-12-14-28-52(50)56;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;17-12-9-7-11(8-10-12)13-3-1-5-15-14(13)4-2-6-16(15)18;11-9-5-1-3-7-8(9)4-2-6-10(7)12;8-6-3-1-5(2-4-6)7(9)10/h1-36H;1-13,22-23H;1-10H;1-6H;1-4,9-10H.
What are the key properties of 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene?
1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene has a molecular weight of 1855.91 g/mol, XLogP of 29.65, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene is sourced from PubChem (CID 157421557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).