9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene

C51H34 — CID 123968907

IUPAC9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C51H34/c1-33-22-24-36(25-23-33)50-44-18-8-10-20-46(44)51(47-21-11-9-19-45(47)50)49-32-39(30-37-12-2-5-15-41(37)49)34-26-28-35(29-27-34)48-31-38-13-3-4-14-40(38)42-16-6-7-17-43(42)48/h2-32H,1H3
InChIKeyFZSKODGOMHRRCN-UHFFFAOYSA-N
MW646.83 g/mol
LogP14.43
Rot. Bonds4

About 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene

9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene (PubChem CID 123968907) has the molecular formula C51H34 and a molecular weight of 646.83 g/mol. Its IUPAC name is 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
PubChem CID123968907
Molecular FormulaC51H34
Molecular Weight646.83 g/mol
Exact Mass646.27
IUPAC Name9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C51H34/c1-33-22-24-36(25-23-33)50-44-18-8-10-20-46(44)51(47-21-11-9-19-45(47)50)49-32-39(30-37-12-2-5-15-41(37)49)34-26-28-35(29-27-34)48-31-38-13-3-4-14-40(38)42-16-6-7-17-43(42)48/h2-32H,1H3
InChIKeyFZSKODGOMHRRCN-UHFFFAOYSA-N
XLogP14.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123956480
9-(2-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123185164
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 157105875
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 167623602
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene
CID 171046034

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
The IUPAC name of 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene (CID 123968907) is 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene is Cc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
The InChIKey is FZSKODGOMHRRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34/c1-33-22-24-36(25-23-33)50-44-18-8-10-20-46(44)51(47-21-11-9-19-45(47)50)49-32-39(30-37-12-2-5-15-41(37)49)34-26-28-35(29-27-34)48-31-38-13-3-4-14-40(38)42-16-6-7-17-43(42)48/h2-32H,1H3.
What are the key properties of 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene has a molecular weight of 646.83 g/mol, XLogP of 14.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 123968907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).