2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]

C52H40 — CID 59196407

IUPAC2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C52H40/c1-51(2)45-20-10-8-16-37(45)39-25-23-35(31-47(39)51)50-42-19-7-6-18-41(42)49(43-27-22-34(30-44(43)50)33-14-4-3-5-15-33)36-24-26-40-38-17-9-11-21-46(38)52(48(40)32-36)28-12-13-29-52/h3-11,14-27,30-32H,12-13,28-29H2,1-2H3
InChIKeyOWPMZPIQENABSK-UHFFFAOYSA-N
MW664.89 g/mol
LogP14.14
Rot. Bonds3

About 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]

2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] (PubChem CID 59196407) has the molecular formula C52H40 and a molecular weight of 664.89 g/mol. Its IUPAC name is 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
PubChem CID59196407
Molecular FormulaC52H40
Molecular Weight664.89 g/mol
Exact Mass664.31
IUPAC Name2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C52H40/c1-51(2)45-20-10-8-16-37(45)39-25-23-35(31-47(39)51)50-42-19-7-6-18-41(42)49(43-27-22-34(30-44(43)50)33-14-4-3-5-15-33)36-24-26-40-38-17-9-11-21-46(38)52(48(40)32-36)28-12-13-29-52/h3-11,14-27,30-32H,12-13,28-29H2,1-2H3
InChIKeyOWPMZPIQENABSK-UHFFFAOYSA-N
XLogP14.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.89
LogP ≤ 514.14
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'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195417
2'-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59195936
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine
CID 90361579
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 161380807
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
CID 153275967
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
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
9,10-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

Frequently Asked Questions

What is the IUPAC name of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] (CID 59196407) is 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21.
What is the InChIKey of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
The InChIKey is OWPMZPIQENABSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40/c1-51(2)45-20-10-8-16-37(45)39-25-23-35(31-47(39)51)50-42-19-7-6-18-41(42)49(43-27-22-34(30-44(43)50)33-14-4-3-5-15-33)36-24-26-40-38-17-9-11-21-46(38)52(48(40)32-36)28-12-13-29-52/h3-11,14-27,30-32H,12-13,28-29H2,1-2H3.
What are the key properties of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] has a molecular weight of 664.89 g/mol, XLogP of 14.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 59196407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).