2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]

C60H42 — CID 59196344

IUPAC2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C60H42/c1-59(2)52-23-11-10-21-49(52)58-50(22-13-25-54(58)59)57-47-20-8-7-19-46(47)56(48-31-28-40(33-51(48)57)39-27-26-37-14-3-4-15-38(37)32-39)41-29-30-45-44-18-9-12-24-53(44)60(55(45)34-41)35-42-16-5-6-17-43(42)36-60/h3-34H,35-36H2,1-2H3
InChIKeyCXPCRTRTBWUOIR-UHFFFAOYSA-N
MW763.00 g/mol
LogP15.52
Rot. Bonds3

About 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]

2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene] (PubChem CID 59196344) has the molecular formula C60H42 and a molecular weight of 763.00 g/mol. Its IUPAC name is 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene].

Molecular Properties

Compound Name2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
PubChem CID59196344
Molecular FormulaC60H42
Molecular Weight763.00 g/mol
Exact Mass762.33
IUPAC Name2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C60H42/c1-59(2)52-23-11-10-21-49(52)58-50(22-13-25-54(58)59)57-47-20-8-7-19-46(47)56(48-31-28-40(33-51(48)57)39-27-26-37-14-3-4-15-38(37)32-39)41-29-30-45-44-18-9-12-24-53(44)60(55(45)34-41)35-42-16-5-6-17-43(42)36-60/h3-34H,35-36H2,1-2H3
InChIKeyCXPCRTRTBWUOIR-UHFFFAOYSA-N
XLogP15.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 515.52
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
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
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
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
CID 59195164
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
CID 59194702
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494
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

Frequently Asked Questions

What is the IUPAC name of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
The IUPAC name of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene] (CID 59196344) is 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene].
What is the SMILES notation for 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
The canonical SMILES for 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene] is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21.
What is the InChIKey of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
The InChIKey is CXPCRTRTBWUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42/c1-59(2)52-23-11-10-21-49(52)58-50(22-13-25-54(58)59)57-47-20-8-7-19-46(47)56(48-31-28-40(33-51(48)57)39-27-26-37-14-3-4-15-38(37)32-39)41-29-30-45-44-18-9-12-24-53(44)60(55(45)34-41)35-42-16-5-6-17-43(42)36-60/h3-34H,35-36H2,1-2H3.
What are the key properties of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]?
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene] has a molecular weight of 763.00 g/mol, XLogP of 15.52, 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-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene] is sourced from PubChem (CID 59196344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).