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

C53H42 — CID 59195417

IUPAC2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C53H42/c1-52(2)46-21-11-9-17-38(46)40-26-24-36(32-48(40)52)51-43-20-8-7-19-42(43)50(44-28-23-35(31-45(44)51)34-15-5-3-6-16-34)37-25-27-41-39-18-10-12-22-47(39)53(49(41)33-37)29-13-4-14-30-53/h3,5-12,15-28,31-33H,4,13-14,29-30H2,1-2H3
InChIKeyUMFWOEKQIDAAGZ-UHFFFAOYSA-N
MW678.92 g/mol
LogP14.53
Rot. Bonds3

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

2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] (PubChem CID 59195417) has the molecular formula C53H42 and a molecular weight of 678.92 g/mol. Its IUPAC name is 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
PubChem CID59195417
Molecular FormulaC53H42
Molecular Weight678.92 g/mol
Exact Mass678.33
IUPAC Name2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C53H42/c1-52(2)46-21-11-9-17-38(46)40-26-24-36(32-48(40)52)51-43-20-8-7-19-42(43)50(44-28-23-35(31-45(44)51)34-15-5-3-6-16-34)37-25-27-41-39-18-10-12-22-47(39)53(49(41)33-37)29-13-4-14-30-53/h3,5-12,15-28,31-33H,4,13-14,29-30H2,1-2H3
InChIKeyUMFWOEKQIDAAGZ-UHFFFAOYSA-N
XLogP14.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.92
LogP ≤ 514.53
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[cyclopentane-1,9'-fluorene]
CID 59196407
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
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
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
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
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
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

Frequently Asked Questions

What is the IUPAC name of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] (CID 59195417) is 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21.
What is the InChIKey of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
The InChIKey is UMFWOEKQIDAAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42/c1-52(2)46-21-11-9-17-38(46)40-26-24-36(32-48(40)52)51-43-20-8-7-19-42(43)50(44-28-23-35(31-45(44)51)34-15-5-3-6-16-34)37-25-27-41-39-18-10-12-22-47(39)53(49(41)33-37)29-13-4-14-30-53/h3,5-12,15-28,31-33H,4,13-14,29-30H2,1-2H3.
What are the key properties of 2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] has a molecular weight of 678.92 g/mol, XLogP of 14.53, 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[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 59195417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).