9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene

C96H80 — CID 20822040

IUPAC9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene
SMILESCCCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8c9ccccc9c(-c9c%10ccccc%10c(C%10CCC(CCC)CC%10)c%10ccccc9%10)c9ccccc89)ccc6-7)ccc4-5)c4ccccc34)cc2)cc1
InChIInChI=1S/C96H80/c1-7-21-59-35-39-61(40-36-59)62-43-45-64(46-44-62)90-73-23-9-11-25-75(73)91(76-26-12-10-24-74(76)90)67-49-53-71-69-51-47-65(55-85(69)95(3,4)87(71)57-67)66-48-52-70-72-54-50-68(58-88(72)96(5,6)86(70)56-66)92-79-29-15-19-33-83(79)94(84-34-20-16-30-80(84)92)93-81-31-17-13-27-77(81)89(78-28-14-18-32-82(78)93)63-41-37-60(22-8-2)38-42-63/h9-20,23-36,39-40,43-58,60,63H,7-8,21-22,37-38,41-42H2,1-6H3
InChIKeyUSZMSBNOTNGOOR-UHFFFAOYSA-N
MW1233.70 g/mol
LogP27.25
Rot. Bonds11

About 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene

9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene (PubChem CID 20822040) has the molecular formula C96H80 and a molecular weight of 1233.70 g/mol. Its IUPAC name is 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene
PubChem CID20822040
Molecular FormulaC96H80
Molecular Weight1233.70 g/mol
Exact Mass1232.63
IUPAC Name9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene
SMILESCCCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8c9ccccc9c(-c9c%10ccccc%10c(C%10CCC(CCC)CC%10)c%10ccccc9%10)c9ccccc89)ccc6-7)ccc4-5)c4ccccc34)cc2)cc1
InChIInChI=1S/C96H80/c1-7-21-59-35-39-61(40-36-59)62-43-45-64(46-44-62)90-73-23-9-11-25-75(73)91(76-26-12-10-24-74(76)90)67-49-53-71-69-51-47-65(55-85(69)95(3,4)87(71)57-67)66-48-52-70-72-54-50-68(58-88(72)96(5,6)86(70)56-66)92-79-29-15-19-33-83(79)94(84-34-20-16-30-80(84)92)93-81-31-17-13-27-77(81)89(78-28-14-18-32-82(78)93)63-41-37-60(22-8-2)38-42-63/h9-20,23-36,39-40,43-58,60,63H,7-8,21-22,37-38,41-42H2,1-6H3
InChIKeyUSZMSBNOTNGOOR-UHFFFAOYSA-N
XLogP27.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.70
LogP ≤ 527.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene with MolForge

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Related Compounds

9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
CID 20821930
9-(9,9-dipropylfluoren-2-yl)-10-[10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822005
9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
CID 20822027
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-[4-(4-butoxyphenyl)phenyl]-10-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782754
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822178
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182422

Frequently Asked Questions

What is the IUPAC name of 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene?
The IUPAC name of 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene (CID 20822040) is 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene.
What is the SMILES notation for 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene?
The canonical SMILES for 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene is CCCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8c9ccccc9c(-c9c%10ccccc%10c(C%10CCC(CCC)CC%10)c%10ccccc9%10)c9ccccc89)ccc6-7)ccc4-5)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene?
The InChIKey is USZMSBNOTNGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H80/c1-7-21-59-35-39-61(40-36-59)62-43-45-64(46-44-62)90-73-23-9-11-25-75(73)91(76-26-12-10-24-74(76)90)67-49-53-71-69-51-47-65(55-85(69)95(3,4)87(71)57-67)66-48-52-70-72-54-50-68(58-88(72)96(5,6)86(70)56-66)92-79-29-15-19-33-83(79)94(84-34-20-16-30-80(84)92)93-81-31-17-13-27-77(81)89(78-28-14-18-32-82(78)93)63-41-37-60(22-8-2)38-42-63/h9-20,23-36,39-40,43-58,60,63H,7-8,21-22,37-38,41-42H2,1-6H3.
What are the key properties of 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene?
9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene has a molecular weight of 1233.70 g/mol, XLogP of 27.25, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 20822040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).