9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene

C65H42 — CID 123659386

IUPAC9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
SMILESc1cc(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc(C2(c3cccc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C65H42/c1-5-23-55-49(15-1)39-50-16-2-6-24-56(50)63(55)45-35-31-43(32-36-45)47-19-13-21-53(41-47)65(61-29-11-9-27-59(61)60-28-10-12-30-62(60)65)54-22-14-20-48(42-54)44-33-37-46(38-34-44)64-57-25-7-3-17-51(57)40-52-18-4-8-26-58(52)64/h1-42H
InChIKeyGDSXBSYZSAPBPQ-UHFFFAOYSA-N
MW823.05 g/mol
LogP17.33
Rot. Bonds6

About 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene

9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene (PubChem CID 123659386) has the molecular formula C65H42 and a molecular weight of 823.05 g/mol. Its IUPAC name is 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
PubChem CID123659386
Molecular FormulaC65H42
Molecular Weight823.05 g/mol
Exact Mass822.33
IUPAC Name9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
SMILESc1cc(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc(C2(c3cccc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C65H42/c1-5-23-55-49(15-1)39-50-16-2-6-24-56(50)63(55)45-35-31-43(32-36-45)47-19-13-21-53(41-47)65(61-29-11-9-27-59(61)60-28-10-12-30-62(60)65)54-22-14-20-48(42-54)44-33-37-46(38-34-44)64-57-25-7-3-17-51(57)40-52-18-4-8-26-58(52)64/h1-42H
InChIKeyGDSXBSYZSAPBPQ-UHFFFAOYSA-N
XLogP17.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.05
LogP ≤ 517.33
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-[3-[3-[9-[3-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[3-[4-[9-[4-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 159639857
9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 159912544
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
9-[3-[9-[3,5-bis(10-naphthalen-1-ylanthracen-9-yl)phenyl]fluoren-9-yl]-5-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-[9-[3,5-bis[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]fluoren-9-yl]-5-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
CID 159691196
2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167177308

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
The IUPAC name of 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene (CID 123659386) is 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene.
What is the SMILES notation for 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
The canonical SMILES for 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene is c1cc(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc(C2(c3cccc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
The InChIKey is GDSXBSYZSAPBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42/c1-5-23-55-49(15-1)39-50-16-2-6-24-56(50)63(55)45-35-31-43(32-36-45)47-19-13-21-53(41-47)65(61-29-11-9-27-59(61)60-28-10-12-30-62(60)65)54-22-14-20-48(42-54)44-33-37-46(38-34-44)64-57-25-7-3-17-51(57)40-52-18-4-8-26-58(52)64/h1-42H.
What are the key properties of 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene has a molecular weight of 823.05 g/mol, XLogP of 17.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene is sourced from PubChem (CID 123659386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).