9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene

C49H36 — CID 144703416

IUPAC9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5cccc(C)c45)c4ccccc34)c2)cc1-c1ccc2ccccc2c1C
InChIInChI=1S/C49H36/c1-31-25-26-37(30-46(31)40-28-27-34-14-4-5-19-39(34)33(40)3)36-17-11-18-38(29-36)48-41-20-6-8-22-43(41)49(44-23-9-7-21-42(44)48)45-24-12-16-35-15-10-13-32(2)47(35)45/h4-30H,1-3H3
InChIKeyRQJADAWQVHPAAC-UHFFFAOYSA-N
MW624.83 g/mol
LogP13.89
Rot. Bonds4

About 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene

9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene (PubChem CID 144703416) has the molecular formula C49H36 and a molecular weight of 624.83 g/mol. Its IUPAC name is 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene
PubChem CID144703416
Molecular FormulaC49H36
Molecular Weight624.83 g/mol
Exact Mass624.28
IUPAC Name9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5cccc(C)c45)c4ccccc34)c2)cc1-c1ccc2ccccc2c1C
InChIInChI=1S/C49H36/c1-31-25-26-37(30-46(31)40-28-27-34-14-4-5-19-39(34)33(40)3)36-17-11-18-38(29-36)48-41-20-6-8-22-43(41)49(44-23-9-7-21-42(44)48)45-24-12-16-35-15-10-13-32(2)47(35)45/h4-30H,1-3H3
InChIKeyRQJADAWQVHPAAC-UHFFFAOYSA-N
XLogP13.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 513.89
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-[4-methyl-3-(3-methylnaphthalen-2-yl)phenyl]-10-(3-naphthalen-1-ylphenyl)anthracene
CID 144703383
9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene
CID 174112861
9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
9-[3-[3-methyl-4-(3-methylnaphthalen-2-yl)phenyl]phenyl]-10-(4-naphthalen-2-ylphenyl)anthracene
CID 144703489
methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
CID 143043876
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
CID 144803354

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene (CID 144703416) is 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene is Cc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5cccc(C)c45)c4ccccc34)c2)cc1-c1ccc2ccccc2c1C.
What is the InChIKey of 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene?
The InChIKey is RQJADAWQVHPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36/c1-31-25-26-37(30-46(31)40-28-27-34-14-4-5-19-39(34)33(40)3)36-17-11-18-38(29-36)48-41-20-6-8-22-43(41)49(44-23-9-7-21-42(44)48)45-24-12-16-35-15-10-13-32(2)47(35)45/h4-30H,1-3H3.
What are the key properties of 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene?
9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene has a molecular weight of 624.83 g/mol, XLogP of 13.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 144703416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).