2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine

C64H46N2 — CID 167327880

IUPAC2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine
SMILESCc1cccc(C2(c3cccc(C(=C(c4ccccc4)c4ccccc4)c4cccc(C5(c6cccc(C)n6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C64H46N2/c1-43-21-17-39-59(65-43)63(55-35-13-9-31-51(55)52-32-10-14-36-56(52)63)49-29-19-27-47(41-49)62(61(45-23-5-3-6-24-45)46-25-7-4-8-26-46)48-28-20-30-50(42-48)64(60-40-18-22-44(2)66-60)57-37-15-11-33-53(57)54-34-12-16-38-58(54)64/h3-42H,1-2H3
InChIKeyHLFFHAFUWODHHY-UHFFFAOYSA-N
MW843.09 g/mol
LogP14.83
Rot. Bonds8

About 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine

2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine (PubChem CID 167327880) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine
PubChem CID167327880
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC Name2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine
SMILESCc1cccc(C2(c3cccc(C(=C(c4ccccc4)c4ccccc4)c4cccc(C5(c6cccc(C)n6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C64H46N2/c1-43-21-17-39-59(65-43)63(55-35-13-9-31-51(55)52-32-10-14-36-56(52)63)49-29-19-27-47(41-49)62(61(45-23-5-3-6-24-45)46-25-7-4-8-26-46)48-28-20-30-50(42-48)64(60-40-18-22-44(2)66-60)57-37-15-11-33-53(57)54-34-12-16-38-58(54)64/h3-42H,1-2H3
InChIKeyHLFFHAFUWODHHY-UHFFFAOYSA-N
XLogP14.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
CID 140560446
9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
CID 142555556
2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine
CID 58233388
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511811
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
9-[3-(9H-fluoren-9-yl)phenyl]-9-phenylfluorene
CID 123461453
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine (CID 167327880) is 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine is Cc1cccc(C2(c3cccc(C(=C(c4ccccc4)c4ccccc4)c4cccc(C5(c6cccc(C)n6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine?
The InChIKey is HLFFHAFUWODHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-43-21-17-39-59(65-43)63(55-35-13-9-31-51(55)52-32-10-14-36-56(52)63)49-29-19-27-47(41-49)62(61(45-23-5-3-6-24-45)46-25-7-4-8-26-46)48-28-20-30-50(42-48)64(60-40-18-22-44(2)66-60)57-37-15-11-33-53(57)54-34-12-16-38-58(54)64/h3-42H,1-2H3.
What are the key properties of 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine?
2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine has a molecular weight of 843.09 g/mol, XLogP of 14.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 167327880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).