9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene

C67H50 — CID 140843490

IUPAC9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene
SMILESCC(C)CC1(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21
InChIInChI=1S/C67H50/c1-45(2)44-67(56-26-18-25-51(42-56)46-19-6-3-7-20-46)63-32-17-16-27-57(63)58-38-37-52(43-64(58)67)66-61-30-14-12-28-59(61)65(60-29-13-15-31-62(60)66)50-35-33-49(34-36-50)55-40-53(47-21-8-4-9-22-47)39-54(41-55)48-23-10-5-11-24-48/h3-43,45H,44H2,1-2H3
InChIKeyYFLVBMPBMCAERL-UHFFFAOYSA-N
MW855.14 g/mol
LogP18.36
Rot. Bonds9

About 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene

9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene (PubChem CID 140843490) has the molecular formula C67H50 and a molecular weight of 855.14 g/mol. Its IUPAC name is 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene
PubChem CID140843490
Molecular FormulaC67H50
Molecular Weight855.14 g/mol
Exact Mass854.39
IUPAC Name9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene
SMILESCC(C)CC1(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21
InChIInChI=1S/C67H50/c1-45(2)44-67(56-26-18-25-51(42-56)46-19-6-3-7-20-46)63-32-17-16-27-57(63)58-38-37-52(43-64(58)67)66-61-30-14-12-28-59(61)65(60-29-13-15-31-62(60)66)50-35-33-49(34-36-50)55-40-53(47-21-8-4-9-22-47)39-54(41-55)48-23-10-5-11-24-48/h3-43,45H,44H2,1-2H3
InChIKeyYFLVBMPBMCAERL-UHFFFAOYSA-N
XLogP18.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 518.36
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-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene
CID 140843551
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
CID 140843433
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene?
The IUPAC name of 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene (CID 140843490) is 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene.
What is the SMILES notation for 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene?
The canonical SMILES for 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene is CC(C)CC1(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.
What is the InChIKey of 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene?
The InChIKey is YFLVBMPBMCAERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50/c1-45(2)44-67(56-26-18-25-51(42-56)46-19-6-3-7-20-46)63-32-17-16-27-57(63)58-38-37-52(43-64(58)67)66-61-30-14-12-28-59(61)65(60-29-13-15-31-62(60)66)50-35-33-49(34-36-50)55-40-53(47-21-8-4-9-22-47)39-54(41-55)48-23-10-5-11-24-48/h3-43,45H,44H2,1-2H3.
What are the key properties of 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene?
9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene has a molecular weight of 855.14 g/mol, XLogP of 18.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene is sourced from PubChem (CID 140843490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).