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

C102H67BBr2O2 — CID 159162204

IUPAC9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
SMILESBrc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.Brc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.OB(O)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.c1ccc2cc(-c3c4ccccc4cc4ccccc34)ccc2c1
InChIInChI=1S/C30H19Br.C24H17BO2.C24H15Br.C24H16/c31-24-17-15-21(16-18-24)29-25-9-3-5-11-27(25)30(28-12-6-4-10-26(28)29)23-14-13-20-7-1-2-8-22(20)19-23;26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;25-24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;1-2-8-18-15-21(14-13-17(18)7-1)24-22-11-5-3-9-19(22)16-20-10-4-6-12-23(20)24/h1-19H;1-15,26-27H;1-15H;1-16H
InChIKeyKKPYATYFCSCJNQ-UHFFFAOYSA-N
MW1495.28 g/mol
LogP28.12
Rot. Bonds6

About 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

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 (PubChem CID 159162204) has the molecular formula C102H67BBr2O2 and a molecular weight of 1495.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
PubChem CID159162204
Molecular FormulaC102H67BBr2O2
Molecular Weight1495.28 g/mol
Exact Mass1492.36
IUPAC Name9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
SMILESBrc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.Brc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.OB(O)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.c1ccc2cc(-c3c4ccccc4cc4ccccc34)ccc2c1
InChIInChI=1S/C30H19Br.C24H17BO2.C24H15Br.C24H16/c31-24-17-15-21(16-18-24)29-25-9-3-5-11-27(25)30(28-12-6-4-10-26(28)29)23-14-13-20-7-1-2-8-22(20)19-23;26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;25-24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;1-2-8-18-15-21(14-13-17(18)7-1)24-22-11-5-3-9-19(22)16-20-10-4-6-12-23(20)24/h1-19H;1-15,26-27H;1-15H;1-16H
InChIKeyKKPYATYFCSCJNQ-UHFFFAOYSA-N
XLogP28.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001495.28
LogP ≤ 528.12
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'}

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Related Compounds

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
3-bromophenanthrene;[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]boronic acid;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-3-ylanthracene
CID 162212474
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
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-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
9-bromoanthracene;9-bromo-10-(4-phenylphenyl)anthracene;9-(4-phenylphenyl)anthracene;(4-phenylphenyl)boronic acid
CID 161175388
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
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-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.Brc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.OB(O)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.c1ccc2cc(-c3c4ccccc4cc4ccccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is KKPYATYFCSCJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br.C24H17BO2.C24H15Br.C24H16/c31-24-17-15-21(16-18-24)29-25-9-3-5-11-27(25)30(28-12-6-4-10-26(28)29)23-14-13-20-7-1-2-8-22(20)19-23;26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;25-24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;1-2-8-18-15-21(14-13-17(18)7-1)24-22-11-5-3-9-19(22)16-20-10-4-6-12-23(20)24/h1-19H;1-15,26-27H;1-15H;1-16H.
What are the key properties of 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?
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 has a molecular weight of 1495.28 g/mol, XLogP of 28.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159162204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).