3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene

C56H38 — CID 168838204

IUPAC3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccc(-c6c7ccccc7c(-c7ccc(C)cc7)c7ccccc67)cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C56H38/c1-35-19-23-39(24-20-35)53-43-11-3-7-15-47(43)55(48-16-8-4-12-44(48)53)41-31-29-37-27-28-38-30-32-42(34-52(38)51(37)33-41)56-49-17-9-5-13-45(49)54(40-25-21-36(2)22-26-40)46-14-6-10-18-50(46)56/h3-34H,1-2H3
InChIKeySOBIIRJHIFRPEJ-UHFFFAOYSA-N
MW710.92 g/mol
LogP15.89
Rot. Bonds4

About 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene

3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene (PubChem CID 168838204) has the molecular formula C56H38 and a molecular weight of 710.92 g/mol. Its IUPAC name is 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene.

Molecular Properties

Compound Name3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
PubChem CID168838204
Molecular FormulaC56H38
Molecular Weight710.92 g/mol
Exact Mass710.30
IUPAC Name3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccc(-c6c7ccccc7c(-c7ccc(C)cc7)c7ccccc67)cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C56H38/c1-35-19-23-39(24-20-35)53-43-11-3-7-15-47(43)55(48-16-8-4-12-44(48)53)41-31-29-37-27-28-38-30-32-42(34-52(38)51(37)33-41)56-49-17-9-5-13-45(49)54(40-25-21-36(2)22-26-40)46-14-6-10-18-50(46)56/h3-34H,1-2H3
InChIKeySOBIIRJHIFRPEJ-UHFFFAOYSA-N
XLogP15.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.92
LogP ≤ 515.89
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-methyl-10-phenanthren-3-ylanthracene
CID 123866149
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 91497188
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene?
The IUPAC name of 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene (CID 168838204) is 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene.
What is the SMILES notation for 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene?
The canonical SMILES for 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene is Cc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccc(-c6c7ccccc7c(-c7ccc(C)cc7)c7ccccc67)cc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene?
The InChIKey is SOBIIRJHIFRPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38/c1-35-19-23-39(24-20-35)53-43-11-3-7-15-47(43)55(48-16-8-4-12-44(48)53)41-31-29-37-27-28-38-30-32-42(34-52(38)51(37)33-41)56-49-17-9-5-13-45(49)54(40-25-21-36(2)22-26-40)46-14-6-10-18-50(46)56/h3-34H,1-2H3.
What are the key properties of 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene?
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene has a molecular weight of 710.92 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene is sourced from PubChem (CID 168838204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).