9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene

C75H58O2 — CID 20822251

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene
SMILESCOc1cccc2c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c4c(OC)cccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c12
InChIInChI=1S/C75H58O2/c1-73(2)59-27-15-13-19-47(59)49-35-31-43(39-61(49)73)44-32-36-51-52-38-34-46(42-64(52)75(5,6)62(51)40-44)68-54-22-10-12-24-56(54)70(58-26-18-30-66(77-8)72(58)68)69-55-23-11-9-21-53(55)67(71-57(69)25-17-29-65(71)76-7)45-33-37-50-48-20-14-16-28-60(48)74(3,4)63(50)41-45/h9-42H,1-8H3
InChIKeyMMPKMTDJPHLKCO-UHFFFAOYSA-N
MW991.29 g/mol
LogP19.90
Rot. Bonds6

About 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene

9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene (PubChem CID 20822251) has the molecular formula C75H58O2 and a molecular weight of 991.29 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene
PubChem CID20822251
Molecular FormulaC75H58O2
Molecular Weight991.29 g/mol
Exact Mass990.44
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene
SMILESCOc1cccc2c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c4c(OC)cccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c12
InChIInChI=1S/C75H58O2/c1-73(2)59-27-15-13-19-47(59)49-35-31-43(39-61(49)73)44-32-36-51-52-38-34-46(42-64(52)75(5,6)62(51)40-44)68-54-22-10-12-24-56(54)70(58-26-18-30-66(77-8)72(58)68)69-55-23-11-9-21-53(55)67(71-57(69)25-17-29-65(71)76-7)45-33-37-50-48-20-14-16-28-60(48)74(3,4)63(50)41-45/h9-42H,1-8H3
InChIKeyMMPKMTDJPHLKCO-UHFFFAOYSA-N
XLogP19.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.29
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
5-(9,9-dimethylfluoren-2-yl)-13-[4-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156217
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
5-(9,9-dimethylfluoren-2-yl)-13-(2,6-diphenylphenyl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156210
9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821900
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160934
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene
CID 20822083
9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
CID 20822374
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-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene (CID 20822251) is 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene is COc1cccc2c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c4c(OC)cccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c12.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene?
The InChIKey is MMPKMTDJPHLKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H58O2/c1-73(2)59-27-15-13-19-47(59)49-35-31-43(39-61(49)73)44-32-36-51-52-38-34-46(42-64(52)75(5,6)62(51)40-44)68-54-22-10-12-24-56(54)70(58-26-18-30-66(77-8)72(58)68)69-55-23-11-9-21-53(55)67(71-57(69)25-17-29-65(71)76-7)45-33-37-50-48-20-14-16-28-60(48)74(3,4)63(50)41-45/h9-42H,1-8H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene?
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene has a molecular weight of 991.29 g/mol, XLogP of 19.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene is sourced from PubChem (CID 20822251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).