9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene

C64H44 — CID 59195354

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
InChIInChI=1S/C64H44/c1-63(2)57-27-15-13-23-49(57)51-34-32-45(39-59(51)63)62-54-26-12-11-25-53(54)61(55-36-31-44(38-56(55)62)43-30-29-41-17-9-10-18-42(41)37-43)46-33-35-52-50-24-14-16-28-58(50)64(60(52)40-46,47-19-5-3-6-20-47)48-21-7-4-8-22-48/h3-40H,1-2H3
InChIKeyOMDMBSJUEYWFMK-UHFFFAOYSA-N
MW813.06 g/mol
LogP16.82
Rot. Bonds5

About 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene

9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene (PubChem CID 59195354) has the molecular formula C64H44 and a molecular weight of 813.06 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
PubChem CID59195354
Molecular FormulaC64H44
Molecular Weight813.06 g/mol
Exact Mass812.34
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
InChIInChI=1S/C64H44/c1-63(2)57-27-15-13-23-49(57)51-34-32-45(39-59(51)63)62-54-26-12-11-25-53(54)61(55-36-31-44(38-56(55)62)43-30-29-41-17-9-10-18-42(41)37-43)46-33-35-52-50-24-14-16-28-58(50)64(60(52)40-46,47-19-5-3-6-20-47)48-21-7-4-8-22-48/h3-40H,1-2H3
InChIKeyOMDMBSJUEYWFMK-UHFFFAOYSA-N
XLogP16.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 516.82
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

10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195223
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
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
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene (CID 59195354) is 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
The InChIKey is OMDMBSJUEYWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44/c1-63(2)57-27-15-13-23-49(57)51-34-32-45(39-59(51)63)62-54-26-12-11-25-53(54)61(55-36-31-44(38-56(55)62)43-30-29-41-17-9-10-18-42(41)37-43)46-33-35-52-50-24-14-16-28-58(50)64(60(52)40-46,47-19-5-3-6-20-47)48-21-7-4-8-22-48/h3-40H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene has a molecular weight of 813.06 g/mol, XLogP of 16.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene is sourced from PubChem (CID 59195354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).