9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene

C64H44 — CID 140834704

IUPAC9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
SMILESCc1ccc(C2(c3ccc(-c4c5ccccc5c(-c5ccc(/C=C/c6ccc(-c7ccc8ccccc8c7)cc6)cc5)c5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C64H44/c1-43-22-38-52(39-23-43)64(60-20-10-8-14-54(60)55-15-9-11-21-61(55)64)53-40-36-49(37-41-53)63-58-18-6-4-16-56(58)62(57-17-5-7-19-59(57)63)48-32-28-45(29-33-48)25-24-44-26-30-47(31-27-44)51-35-34-46-12-2-3-13-50(46)42-51/h2-42H,1H3/b25-24+
InChIKeyONFMJOOCVCCCKW-OCOZRVBESA-N
MW813.06 g/mol
LogP16.99
Rot. Bonds7

About 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene

9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene (PubChem CID 140834704) has the molecular formula C64H44 and a molecular weight of 813.06 g/mol. Its IUPAC name is 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
PubChem CID140834704
Molecular FormulaC64H44
Molecular Weight813.06 g/mol
Exact Mass812.34
IUPAC Name9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
SMILESCc1ccc(C2(c3ccc(-c4c5ccccc5c(-c5ccc(/C=C/c6ccc(-c7ccc8ccccc8c7)cc6)cc5)c5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C64H44/c1-43-22-38-52(39-23-43)64(60-20-10-8-14-54(60)55-15-9-11-21-61(55)64)53-40-36-49(37-41-53)63-58-18-6-4-16-56(58)62(57-17-5-7-19-59(57)63)48-32-28-45(29-33-48)25-24-44-26-30-47(31-27-44)51-35-34-46-12-2-3-13-50(46)42-51/h2-42H,1H3/b25-24+
InChIKeyONFMJOOCVCCCKW-OCOZRVBESA-N
XLogP16.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123212065
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123832352
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The IUPAC name of 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene (CID 140834704) is 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene is Cc1ccc(C2(c3ccc(-c4c5ccccc5c(-c5ccc(/C=C/c6ccc(-c7ccc8ccccc8c7)cc6)cc5)c5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The InChIKey is ONFMJOOCVCCCKW-OCOZRVBESA-N. The full InChI is InChI=1S/C64H44/c1-43-22-38-52(39-23-43)64(60-20-10-8-14-54(60)55-15-9-11-21-61(55)64)53-40-36-49(37-41-53)63-58-18-6-4-16-56(58)62(57-17-5-7-19-59(57)63)48-32-28-45(29-33-48)25-24-44-26-30-47(31-27-44)51-35-34-46-12-2-3-13-50(46)42-51/h2-42H,1H3/b25-24+.
What are the key properties of 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene has a molecular weight of 813.06 g/mol, XLogP of 16.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 140834704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).