9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene

C57H44O — CID 20822210

IUPAC9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)ccc3-4)ccc1-2
InChIInChI=1S/C57H44O/c1-56(2)50-31-38(39-24-28-43-45-30-26-41(58-5)34-53(45)57(3,4)51(43)32-39)23-27-42(50)44-29-25-40(33-52(44)56)55-48-17-11-9-15-46(48)54(47-16-10-12-18-49(47)55)37-21-19-36(20-22-37)35-13-7-6-8-14-35/h6-34H,1-5H3
InChIKeyNANARFOEODTYCO-UHFFFAOYSA-N
MW744.98 g/mol
LogP15.28
Rot. Bonds5

About 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene

9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene (PubChem CID 20822210) has the molecular formula C57H44O and a molecular weight of 744.98 g/mol. Its IUPAC name is 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
PubChem CID20822210
Molecular FormulaC57H44O
Molecular Weight744.98 g/mol
Exact Mass744.34
IUPAC Name9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)ccc3-4)ccc1-2
InChIInChI=1S/C57H44O/c1-56(2)50-31-38(39-24-28-43-45-30-26-41(58-5)34-53(45)57(3,4)51(43)32-39)23-27-42(50)44-29-25-40(33-52(44)56)55-48-17-11-9-15-46(48)54(47-16-10-12-18-49(47)55)37-21-19-36(20-22-37)35-13-7-6-8-14-35/h6-34H,1-5H3
InChIKeyNANARFOEODTYCO-UHFFFAOYSA-N
XLogP15.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
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-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
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
9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822178

Frequently Asked Questions

What is the IUPAC name of 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene (CID 20822210) is 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene is COc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)ccc3-4)ccc1-2.
What is the InChIKey of 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene?
The InChIKey is NANARFOEODTYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44O/c1-56(2)50-31-38(39-24-28-43-45-30-26-41(58-5)34-53(45)57(3,4)51(43)32-39)23-27-42(50)44-29-25-40(33-52(44)56)55-48-17-11-9-15-46(48)54(47-16-10-12-18-49(47)55)37-21-19-36(20-22-37)35-13-7-6-8-14-35/h6-34H,1-5H3.
What are the key properties of 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene?
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene has a molecular weight of 744.98 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 20822210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).