9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene

C90H70O2 — CID 20822185

IUPAC9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene
SMILESCC(C)Oc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7c8ccccc8c(-c8c9ccccc9c(-c9ccc(OC(C)C)cc9)c9ccccc89)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1
InChIInChI=1S/C90H70O2/c1-53(2)91-61-41-33-55(34-42-61)83-67-21-9-11-23-69(67)85(70-24-12-10-22-68(70)83)59-39-47-65-63-45-37-57(49-79(63)89(5,6)81(65)51-59)58-38-46-64-66-48-40-60(52-82(66)90(7,8)80(64)50-58)86-73-27-15-19-31-77(73)88(78-32-20-16-28-74(78)86)87-75-29-17-13-25-71(75)84(72-26-14-18-30-76(72)87)56-35-43-62(44-36-56)92-54(3)4/h9-54H,1-8H3
InChIKeyLRNLHEVUOSHSRV-UHFFFAOYSA-N
MW1183.55 g/mol
LogP24.79
Rot. Bonds10

About 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene

9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene (PubChem CID 20822185) has the molecular formula C90H70O2 and a molecular weight of 1183.55 g/mol. Its IUPAC name is 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene.

Molecular Properties

Compound Name9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene
PubChem CID20822185
Molecular FormulaC90H70O2
Molecular Weight1183.55 g/mol
Exact Mass1182.54
IUPAC Name9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene
SMILESCC(C)Oc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7c8ccccc8c(-c8c9ccccc9c(-c9ccc(OC(C)C)cc9)c9ccccc89)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1
InChIInChI=1S/C90H70O2/c1-53(2)91-61-41-33-55(34-42-61)83-67-21-9-11-23-69(67)85(70-24-12-10-22-68(70)83)59-39-47-65-63-45-37-57(49-79(63)89(5,6)81(65)51-59)58-38-46-64-66-48-40-60(52-82(66)90(7,8)80(64)50-58)86-73-27-15-19-31-77(73)88(78-32-20-16-28-74(78)86)87-75-29-17-13-25-71(75)84(72-26-14-18-30-76(72)87)56-35-43-62(44-36-56)92-54(3)4/h9-54H,1-8H3
InChIKeyLRNLHEVUOSHSRV-UHFFFAOYSA-N
XLogP24.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.55
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracene
CID 20821931
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822178
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-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880

Frequently Asked Questions

What is the IUPAC name of 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene?
The IUPAC name of 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene (CID 20822185) is 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene.
What is the SMILES notation for 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene?
The canonical SMILES for 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene is CC(C)Oc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7c8ccccc8c(-c8c9ccccc9c(-c9ccc(OC(C)C)cc9)c9ccccc89)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1.
What is the InChIKey of 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene?
The InChIKey is LRNLHEVUOSHSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H70O2/c1-53(2)91-61-41-33-55(34-42-61)83-67-21-9-11-23-69(67)85(70-24-12-10-22-68(70)83)59-39-47-65-63-45-37-57(49-79(63)89(5,6)81(65)51-59)58-38-46-64-66-48-40-60(52-82(66)90(7,8)80(64)50-58)86-73-27-15-19-31-77(73)88(78-32-20-16-28-74(78)86)87-75-29-17-13-25-71(75)84(72-26-14-18-30-76(72)87)56-35-43-62(44-36-56)92-54(3)4/h9-54H,1-8H3.
What are the key properties of 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene?
9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene has a molecular weight of 1183.55 g/mol, XLogP of 24.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene is sourced from PubChem (CID 20822185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).