2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]

C69H50 — CID 143809004

IUPAC2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc35)=CCCC=4)cc21
InChIInChI=1S/C69H50/c1-67(2)57-24-12-7-17-45(57)50-34-31-43(39-62(50)67)65-53-22-5-6-23-54(53)66(44-32-35-51-46-18-8-13-25-58(46)68(3,4)63(51)40-44)56-37-41(30-36-55(56)65)42-29-33-52-49-21-11-16-28-61(49)69(64(52)38-42)59-26-14-9-19-47(59)48-20-10-15-27-60(48)69/h7-40H,5-6H2,1-4H3
InChIKeyOSWKRTLIELWJSY-UHFFFAOYSA-N
MW879.16 g/mol
LogP16.15
Rot. Bonds3

About 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]

2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene] (PubChem CID 143809004) has the molecular formula C69H50 and a molecular weight of 879.16 g/mol. Its IUPAC name is 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]
PubChem CID143809004
Molecular FormulaC69H50
Molecular Weight879.16 g/mol
Exact Mass878.39
IUPAC Name2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc35)=CCCC=4)cc21
InChIInChI=1S/C69H50/c1-67(2)57-24-12-7-17-45(57)50-34-31-43(39-62(50)67)65-53-22-5-6-23-54(53)66(44-32-35-51-46-18-8-13-25-58(46)68(3,4)63(51)40-44)56-37-41(30-36-55(56)65)42-29-33-52-49-21-11-16-28-61(49)69(64(52)38-42)59-26-14-9-19-47(59)48-20-10-15-27-60(48)69/h7-40H,5-6H2,1-4H3
InChIKeyOSWKRTLIELWJSY-UHFFFAOYSA-N
XLogP16.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.16
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene
CID 89083902
10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
CID 156682573
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
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-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 140724755
2-[9,10-bis(2,3,4,5,6-pentakis-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-9,9'-spirobi[fluorene]
CID 167352769

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene] (CID 143809004) is 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene] is CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc35)=CCCC=4)cc21.
What is the InChIKey of 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]?
The InChIKey is OSWKRTLIELWJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50/c1-67(2)57-24-12-7-17-45(57)50-34-31-43(39-62(50)67)65-53-22-5-6-23-54(53)66(44-32-35-51-46-18-8-13-25-58(46)68(3,4)63(51)40-44)56-37-41(30-36-55(56)65)42-29-33-52-49-21-11-16-28-61(49)69(64(52)38-42)59-26-14-9-19-47(59)48-20-10-15-27-60(48)69/h7-40H,5-6H2,1-4H3.
What are the key properties of 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]?
2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene] has a molecular weight of 879.16 g/mol, XLogP of 16.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 143809004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).