2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene

C60H44 — CID 59196314

IUPAC2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21
InChIInChI=1S/C60H44/c1-59(2)53-28-12-10-24-49(53)58-50(26-15-29-54(58)59)57-47-23-8-7-22-46(47)56(41-19-13-18-40(34-41)43-25-14-17-37-16-5-6-20-42(37)43)48-33-31-38(35-51(48)57)39-30-32-45-44-21-9-11-27-52(44)60(3,4)55(45)36-39/h5-36H,1-4H3
InChIKeyLSWZJPMUOWMAPA-UHFFFAOYSA-N
MW765.01 g/mol
LogP16.43
Rot. Bonds4

About 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene

2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 59196314) has the molecular formula C60H44 and a molecular weight of 765.01 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
PubChem CID59196314
Molecular FormulaC60H44
Molecular Weight765.01 g/mol
Exact Mass764.34
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21
InChIInChI=1S/C60H44/c1-59(2)53-28-12-10-24-49(53)58-50(26-15-29-54(58)59)57-47-23-8-7-22-46(47)56(41-19-13-18-40(34-41)43-25-14-17-37-16-5-6-20-42(37)43)48-33-31-38(35-51(48)57)39-30-32-45-44-21-9-11-27-52(44)60(3,4)55(45)36-39/h5-36H,1-4H3
InChIKeyLSWZJPMUOWMAPA-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.01
LogP ≤ 516.43
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

2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9,10-dinaphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(3-phenanthren-1-ylphenyl)anthracene
CID 163960045
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159207941
2,9-bis(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 160579929
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 91082381
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene (CID 59196314) is 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
The InChIKey is LSWZJPMUOWMAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44/c1-59(2)53-28-12-10-24-49(53)58-50(26-15-29-54(58)59)57-47-23-8-7-22-46(47)56(41-19-13-18-40(34-41)43-25-14-17-37-16-5-6-20-42(37)43)48-33-31-38(35-51(48)57)39-30-32-45-44-21-9-11-27-52(44)60(3,4)55(45)36-39/h5-36H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene has a molecular weight of 765.01 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 59196314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).