2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene

C48H34 — CID 59766352

IUPAC2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
SMILESCc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccc(C)cc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C48H34/c1-31-17-21-33(22-18-31)37-25-27-43-45(29-37)47(41-15-7-11-35-9-3-5-13-39(35)41)44-28-26-38(34-23-19-32(2)20-24-34)30-46(44)48(43)42-16-8-12-36-10-4-6-14-40(36)42/h3-30H,1-2H3
InChIKeyPCIRFCZGUPWIFU-UHFFFAOYSA-N
MW610.80 g/mol
LogP13.58
Rot. Bonds4

About 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene

2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene (PubChem CID 59766352) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
PubChem CID59766352
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
SMILESCc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccc(C)cc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C48H34/c1-31-17-21-33(22-18-31)37-25-27-43-45(29-37)47(41-15-7-11-35-9-3-5-13-39(35)41)44-28-26-38(34-23-19-32(2)20-24-34)30-46(44)48(43)42-16-8-12-36-10-4-6-14-40(36)42/h3-30H,1-2H3
InChIKeyPCIRFCZGUPWIFU-UHFFFAOYSA-N
XLogP13.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 513.58
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-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
The IUPAC name of 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene (CID 59766352) is 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene.
What is the SMILES notation for 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
The canonical SMILES for 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene is Cc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccc(C)cc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
The InChIKey is PCIRFCZGUPWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34/c1-31-17-21-33(22-18-31)37-25-27-43-45(29-37)47(41-15-7-11-35-9-3-5-13-39(35)41)44-28-26-38(34-23-19-32(2)20-24-34)30-46(44)48(43)42-16-8-12-36-10-4-6-14-40(36)42/h3-30H,1-2H3.
What are the key properties of 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene has a molecular weight of 610.80 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene is sourced from PubChem (CID 59766352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).