9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

C62H40 — CID 140961805

IUPAC9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C62H40/c1-61(2)52-28-14-11-20-41(52)44-33-32-38(35-55(44)61)57-46-24-7-9-26-48(46)58(49-27-10-8-25-47(49)57)51-36-56-59(45-23-6-5-19-40(45)51)50-34-31-37-17-3-4-18-39(37)60(50)62(56)53-29-15-12-21-42(53)43-22-13-16-30-54(43)62/h3-36H,1-2H3
InChIKeyFVOOLUNVXUWWTF-UHFFFAOYSA-N
MW785.00 g/mol
LogP16.28
Rot. Bonds2

About 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (PubChem CID 140961805) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].

Molecular Properties

Compound Name9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
PubChem CID140961805
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C62H40/c1-61(2)52-28-14-11-20-41(52)44-33-32-38(35-55(44)61)57-46-24-7-9-26-48(46)58(49-27-10-8-25-47(49)57)51-36-56-59(45-23-6-5-19-40(45)51)50-34-31-37-17-3-4-18-39(37)60(50)62(56)53-29-15-12-21-42(53)43-22-13-16-30-54(43)62/h3-36H,1-2H3
InChIKeyFVOOLUNVXUWWTF-UHFFFAOYSA-N
XLogP16.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] with MolForge

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Related Compounds

9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961856
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962879
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
CID 140724174
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-naphthalen-1-ylphenanthrene
CID 140942184
2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
CID 123157608

Frequently Asked Questions

What is the IUPAC name of 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The IUPAC name of 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (CID 140961805) is 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].
What is the SMILES notation for 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The canonical SMILES for 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)c4ccccc34)cc21.
What is the InChIKey of 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The InChIKey is FVOOLUNVXUWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-61(2)52-28-14-11-20-41(52)44-33-32-38(35-55(44)61)57-46-24-7-9-26-48(46)58(49-27-10-8-25-47(49)57)51-36-56-59(45-23-6-5-19-40(45)51)50-34-31-37-17-3-4-18-39(37)60(50)62(56)53-29-15-12-21-42(53)43-22-13-16-30-54(43)62/h3-36H,1-2H3.
What are the key properties of 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] has a molecular weight of 785.00 g/mol, XLogP of 16.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is sourced from PubChem (CID 140961805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).