2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene

C63H42 — CID 58795241

IUPAC2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C63H42/c1-39-19-27-45(28-20-39)63(46-29-21-40(2)22-30-46)61-37-43(41-23-31-55-51-15-5-3-11-47(51)49-13-7-9-17-53(49)59(55)35-41)25-33-57(61)58-34-26-44(38-62(58)63)42-24-32-56-52-16-6-4-12-48(52)50-14-8-10-18-54(50)60(56)36-42/h3-38H,1-2H3
InChIKeyPDMVTGWRJURVMM-UHFFFAOYSA-N
MW799.03 g/mol
LogP16.92
Rot. Bonds4

About 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene

2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene (PubChem CID 58795241) has the molecular formula C63H42 and a molecular weight of 799.03 g/mol. Its IUPAC name is 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene.

Molecular Properties

Compound Name2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
PubChem CID58795241
Molecular FormulaC63H42
Molecular Weight799.03 g/mol
Exact Mass798.33
IUPAC Name2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C63H42/c1-39-19-27-45(28-20-39)63(46-29-21-40(2)22-30-46)61-37-43(41-23-31-55-51-15-5-3-11-47(51)49-13-7-9-17-53(49)59(55)35-41)25-33-57(61)58-34-26-44(38-62(58)63)42-24-32-56-52-16-6-4-12-48(52)50-14-8-10-18-54(50)60(56)36-42/h3-38H,1-2H3
InChIKeyPDMVTGWRJURVMM-UHFFFAOYSA-N
XLogP16.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.03
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
The IUPAC name of 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene (CID 58795241) is 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene.
What is the SMILES notation for 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
The canonical SMILES for 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene is Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1.
What is the InChIKey of 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
The InChIKey is PDMVTGWRJURVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42/c1-39-19-27-45(28-20-39)63(46-29-21-40(2)22-30-46)61-37-43(41-23-31-55-51-15-5-3-11-47(51)49-13-7-9-17-53(49)59(55)35-41)25-33-57(61)58-34-26-44(38-62(58)63)42-24-32-56-52-16-6-4-12-48(52)50-14-8-10-18-54(50)60(56)36-42/h3-38H,1-2H3.
What are the key properties of 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene has a molecular weight of 799.03 g/mol, XLogP of 16.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene is sourced from PubChem (CID 58795241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).