5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene

C56H38 — CID 91392280

IUPAC5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene
SMILESCC1c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc(-c4ccccc4)cc13)c1ccccc21
InChIInChI=1S/C56H38/c1-36-42-23-11-13-25-45(42)55-46-26-14-12-24-44(46)53(35-50(36)55)56-48-28-16-15-27-47(48)54(49-32-29-40(33-52(49)56)37-17-5-2-6-18-37)41-30-31-43(38-19-7-3-8-20-38)51(34-41)39-21-9-4-10-22-39/h2-36H,1H3
InChIKeyRBICXTJTNBOGSY-UHFFFAOYSA-N
MW710.92 g/mol
LogP15.61
Rot. Bonds5

About 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene

5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene (PubChem CID 91392280) has the molecular formula C56H38 and a molecular weight of 710.92 g/mol. Its IUPAC name is 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene.

Molecular Properties

Compound Name5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene
PubChem CID91392280
Molecular FormulaC56H38
Molecular Weight710.92 g/mol
Exact Mass710.30
IUPAC Name5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene
SMILESCC1c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc(-c4ccccc4)cc13)c1ccccc21
InChIInChI=1S/C56H38/c1-36-42-23-11-13-25-45(42)55-46-26-14-12-24-44(46)53(35-50(36)55)56-48-28-16-15-27-47(48)54(49-32-29-40(33-52(49)56)37-17-5-2-6-18-37)41-30-31-43(38-19-7-3-8-20-38)51(34-41)39-21-9-4-10-22-39/h2-36H,1H3
InChIKeyRBICXTJTNBOGSY-UHFFFAOYSA-N
XLogP15.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.92
LogP ≤ 515.61
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-(9-methyl-9H-fluoren-2-yl)-10-phenylanthracene
CID 20822440
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9-(9-methyl-9H-fluoren-2-yl)-10-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracene
CID 123405622
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329

Frequently Asked Questions

What is the IUPAC name of 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene?
The IUPAC name of 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene (CID 91392280) is 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene.
What is the SMILES notation for 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene?
The canonical SMILES for 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene is CC1c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc(-c4ccccc4)cc13)c1ccccc21.
What is the InChIKey of 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene?
The InChIKey is RBICXTJTNBOGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38/c1-36-42-23-11-13-25-45(42)55-46-26-14-12-24-44(46)53(35-50(36)55)56-48-28-16-15-27-47(48)54(49-32-29-40(33-52(49)56)37-17-5-2-6-18-37)41-30-31-43(38-19-7-3-8-20-38)51(34-41)39-21-9-4-10-22-39/h2-36H,1H3.
What are the key properties of 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene?
5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene has a molecular weight of 710.92 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene is sourced from PubChem (CID 91392280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).