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

C61H42 — CID 143930053

IUPAC2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c4c3)cc21
InChIInChI=1S/C61H42/c1-61(2)57-24-10-9-21-51(57)52-31-29-48(38-58(52)61)47-30-32-55-56(37-47)60(50-20-12-18-44(36-50)46-28-26-40-14-4-6-16-42(40)34-46)54-23-8-7-22-53(54)59(55)49-19-11-17-43(35-49)45-27-25-39-13-3-5-15-41(39)33-45/h3-38H,1-2H3
InChIKeyJHRKIYZKOUPLCV-UHFFFAOYSA-N
MW775.01 g/mol
LogP16.94
Rot. Bonds5

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

2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 143930053) has the molecular formula C61H42 and a molecular weight of 775.01 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
PubChem CID143930053
Molecular FormulaC61H42
Molecular Weight775.01 g/mol
Exact Mass774.33
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c4c3)cc21
InChIInChI=1S/C61H42/c1-61(2)57-24-10-9-21-51(57)52-31-29-48(38-58(52)61)47-30-32-55-56(37-47)60(50-20-12-18-44(36-50)46-28-26-40-14-4-6-16-42(40)34-46)54-23-8-7-22-53(54)59(55)49-19-11-17-43(35-49)45-27-25-39-13-3-5-15-41(39)33-45/h3-38H,1-2H3
InChIKeyJHRKIYZKOUPLCV-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 516.94
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
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
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
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 161493004
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
2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-diphenylanthracene
CID 159374462

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene (CID 143930053) is 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c4c3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is JHRKIYZKOUPLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42/c1-61(2)57-24-10-9-21-51(57)52-31-29-48(38-58(52)61)47-30-32-55-56(37-47)60(50-20-12-18-44(36-50)46-28-26-40-14-4-6-16-42(40)34-46)54-23-8-7-22-53(54)59(55)49-19-11-17-43(35-49)45-27-25-39-13-3-5-15-41(39)33-45/h3-38H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 775.01 g/mol, XLogP of 16.94, 5 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)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 143930053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).