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

C110H71BBr2O2 — CID 162087825

IUPAC2,6-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
SMILESBrc1ccc2cc(Br)ccc2c1.OB(O)c1c2ccccc2c(-c2ccc3cc(-c4ccccc4)ccc3c2)c2ccccc12.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(-c7c8ccccc8c(-c8ccc9cc(-c%10ccccc%10)ccc9c8)c8ccccc78)ccc6c5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C70H44.C30H21BO2.C10H6Br2/c1-3-15-45(16-4-1)47-27-29-51-41-55(35-31-49(51)39-47)67-59-19-7-11-23-63(59)69(64-24-12-8-20-60(64)67)57-37-33-54-44-58(38-34-53(54)43-57)70-65-25-13-9-21-61(65)68(62-22-10-14-26-66(62)70)56-36-32-50-40-48(28-30-52(50)42-56)46-17-5-2-6-18-46;32-31(33)30-27-12-6-4-10-25(27)29(26-11-5-7-13-28(26)30)24-17-16-22-18-21(14-15-23(22)19-24)20-8-2-1-3-9-20;11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-44H;1-19,32-33H;1-6H
InChIKeyZDEYMKGHTXLIQS-UHFFFAOYSA-N
MW1595.40 g/mol
LogP30.29
Rot. Bonds9

About 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

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 (PubChem CID 162087825) has the molecular formula C110H71BBr2O2 and a molecular weight of 1595.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID162087825
Molecular FormulaC110H71BBr2O2
Molecular Weight1595.40 g/mol
Exact Mass1592.39
IUPAC Name2,6-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
SMILESBrc1ccc2cc(Br)ccc2c1.OB(O)c1c2ccccc2c(-c2ccc3cc(-c4ccccc4)ccc3c2)c2ccccc12.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(-c7c8ccccc8c(-c8ccc9cc(-c%10ccccc%10)ccc9c8)c8ccccc78)ccc6c5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C70H44.C30H21BO2.C10H6Br2/c1-3-15-45(16-4-1)47-27-29-51-41-55(35-31-49(51)39-47)67-59-19-7-11-23-63(59)69(64-24-12-8-20-60(64)67)57-37-33-54-44-58(38-34-53(54)43-57)70-65-25-13-9-21-61(65)68(62-22-10-14-26-66(62)70)56-36-32-50-40-48(28-30-52(50)42-56)46-17-5-2-6-18-46;32-31(33)30-27-12-6-4-10-25(27)29(26-11-5-7-13-28(26)30)24-17-16-22-18-21(14-15-23(22)19-24)20-8-2-1-3-9-20;11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-44H;1-19,32-33H;1-6H
InChIKeyZDEYMKGHTXLIQS-UHFFFAOYSA-N
XLogP30.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001595.40
LogP ≤ 530.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-bromophenanthrene;[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]boronic acid;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-3-ylanthracene
CID 162212474
2-(3-bromophenyl)triphenylene;[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]boronic acid;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 161175720
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
CID 159162204
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
4-(3-bromophenyl)dibenzofuran;methane;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 162217055
8-(4-bromophenyl)naphtho[1,2-b][1]benzofuran;ethane;(10-phenylanthracen-9-yl)boronic acid;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 158166084
4-(3-bromophenyl)dibenzothiophene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 161071042

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2cc(Br)ccc2c1.OB(O)c1c2ccccc2c(-c2ccc3cc(-c4ccccc4)ccc3c2)c2ccccc12.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(-c7c8ccccc8c(-c8ccc9cc(-c%10ccccc%10)ccc9c8)c8ccccc78)ccc6c5)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is ZDEYMKGHTXLIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44.C30H21BO2.C10H6Br2/c1-3-15-45(16-4-1)47-27-29-51-41-55(35-31-49(51)39-47)67-59-19-7-11-23-63(59)69(64-24-12-8-20-60(64)67)57-37-33-54-44-58(38-34-53(54)43-57)70-65-25-13-9-21-61(65)68(62-22-10-14-26-66(62)70)56-36-32-50-40-48(28-30-52(50)42-56)46-17-5-2-6-18-46;32-31(33)30-27-12-6-4-10-25(27)29(26-11-5-7-13-28(26)30)24-17-16-22-18-21(14-15-23(22)19-24)20-8-2-1-3-9-20;11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-44H;1-19,32-33H;1-6H.
What are the key properties of 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?
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 has a molecular weight of 1595.40 g/mol, XLogP of 30.29, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162087825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).