9-(7-bromonaphthalen-2-yl)-10-phenylanthracene

C30H19Br — CID 134391865

IUPAC9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
SMILESBrc1ccc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2c1
InChIInChI=1S/C30H19Br/c31-24-17-16-20-14-15-22(18-23(20)19-24)30-27-12-6-4-10-25(27)29(21-8-2-1-3-9-21)26-11-5-7-13-28(26)30/h1-19H
InChIKeyWSZJRJFFQIZGDG-UHFFFAOYSA-N
MW459.39 g/mol
LogP9.24
Rot. Bonds2

About 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene

9-(7-bromonaphthalen-2-yl)-10-phenylanthracene (PubChem CID 134391865) has the molecular formula C30H19Br and a molecular weight of 459.39 g/mol. Its IUPAC name is 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
PubChem CID134391865
Molecular FormulaC30H19Br
Molecular Weight459.39 g/mol
Exact Mass458.07
IUPAC Name9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
SMILESBrc1ccc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2c1
InChIInChI=1S/C30H19Br/c31-24-17-16-20-14-15-22(18-23(20)19-24)30-27-12-6-4-10-25(27)29(21-8-2-1-3-9-21)26-11-5-7-13-28(26)30/h1-19H
InChIKeyWSZJRJFFQIZGDG-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 59.24
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-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 153438362
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
2-bromo-9,10-diphenylanthracene
CID 22247163
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
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396

Frequently Asked Questions

What is the IUPAC name of 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene?
The IUPAC name of 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene (CID 134391865) is 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene.
What is the SMILES notation for 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene?
The canonical SMILES for 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene is Brc1ccc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2c1.
What is the InChIKey of 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene?
The InChIKey is WSZJRJFFQIZGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br/c31-24-17-16-20-14-15-22(18-23(20)19-24)30-27-12-6-4-10-25(27)29(21-8-2-1-3-9-21)26-11-5-7-13-28(26)30/h1-19H.
What are the key properties of 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene?
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene has a molecular weight of 459.39 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-bromonaphthalen-2-yl)-10-phenylanthracene is sourced from PubChem (CID 134391865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).