9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene

C40H25Br — CID 175622318

IUPAC9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene
SMILESBrc1ccc2ccccc2c1-c1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C40H25Br/c41-37-24-23-27-12-2-4-17-31(27)39(37)29-15-9-14-28(25-29)38-33-18-5-7-20-35(33)40(36-21-8-6-19-34(36)38)32-22-10-13-26-11-1-3-16-30(26)32/h1-25H
InChIKeyCSOSIQBXMPZKSB-UHFFFAOYSA-N
MW585.54 g/mol
LogP12.06
Rot. Bonds3

About 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene

9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene (PubChem CID 175622318) has the molecular formula C40H25Br and a molecular weight of 585.54 g/mol. Its IUPAC name is 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene
PubChem CID175622318
Molecular FormulaC40H25Br
Molecular Weight585.54 g/mol
Exact Mass584.11
IUPAC Name9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene
SMILESBrc1ccc2ccccc2c1-c1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C40H25Br/c41-37-24-23-27-12-2-4-17-31(27)39(37)29-15-9-14-28(25-29)38-33-18-5-7-20-35(33)40(36-21-8-6-19-34(36)38)32-22-10-13-26-11-1-3-16-30(26)32/h1-25H
InChIKeyCSOSIQBXMPZKSB-UHFFFAOYSA-N
XLogP12.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.54
LogP ≤ 512.06
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

2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene?
The IUPAC name of 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene (CID 175622318) is 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene?
The canonical SMILES for 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene is Brc1ccc2ccccc2c1-c1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene?
The InChIKey is CSOSIQBXMPZKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25Br/c41-37-24-23-27-12-2-4-17-31(27)39(37)29-15-9-14-28(25-29)38-33-18-5-7-20-35(33)40(36-21-8-6-19-34(36)38)32-22-10-13-26-11-1-3-16-30(26)32/h1-25H.
What are the key properties of 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene?
9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene has a molecular weight of 585.54 g/mol, XLogP of 12.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-bromonaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene is sourced from PubChem (CID 175622318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).