9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene

C82H64 — CID 123272924

IUPAC9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(Cc4cc(C)c5c(c4)-c4ccccc4C5(c4ccc(C)cc4)c4ccc(C)c(Cc5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)c3ccccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C82H64/c1-53-31-39-64(40-32-53)81(73-27-15-12-24-68(73)70-46-35-55(3)47-77(70)81)65-44-37-58(38-45-65)49-59-48-57(5)79-72(50-59)69-25-13-16-28-74(69)82(79,66-41-33-54(2)34-42-66)67-43-36-56(4)61(52-67)51-60-19-18-30-76-78(60)71-26-14-17-29-75(71)80(76,62-20-8-6-9-21-62)63-22-10-7-11-23-63/h6-48,50,52H,49,51H2,1-5H3
InChIKeyYXIUZWZNIKUJSN-UHFFFAOYSA-N
MW1049.41 g/mol
LogP19.50
Rot. Bonds10

About 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene

9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene (PubChem CID 123272924) has the molecular formula C82H64 and a molecular weight of 1049.41 g/mol. Its IUPAC name is 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene.

Molecular Properties

Compound Name9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene
PubChem CID123272924
Molecular FormulaC82H64
Molecular Weight1049.41 g/mol
Exact Mass1048.50
IUPAC Name9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(Cc4cc(C)c5c(c4)-c4ccccc4C5(c4ccc(C)cc4)c4ccc(C)c(Cc5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)c3ccccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C82H64/c1-53-31-39-64(40-32-53)81(73-27-15-12-24-68(73)70-46-35-55(3)47-77(70)81)65-44-37-58(38-45-65)49-59-48-57(5)79-72(50-59)69-25-13-16-28-74(69)82(79,66-41-33-54(2)34-42-66)67-43-36-56(4)61(52-67)51-60-19-18-30-76-78(60)71-26-14-17-29-75(71)80(76,62-20-8-6-9-21-62)63-22-10-7-11-23-63/h6-48,50,52H,49,51H2,1-5H3
InChIKeyYXIUZWZNIKUJSN-UHFFFAOYSA-N
XLogP19.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.41
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene with MolForge

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Related Compounds

4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene
CID 123544181
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
4-(3-methylphenyl)-9,9-diphenylfluorene;9-(2-methylphenyl)-9-phenylfluorene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9-phenyl-9-(4-phenylphenyl)fluorene
CID 159810853
1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938931
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 147357174
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
9-[3-[(9,9-dimethylfluoren-4-yl)methyl]phenyl]-6-[3-(2-iodo-9-phenylfluoren-9-yl)phenyl]-1-methyl-9-phenylfluorene
CID 144938972
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene
CID 123592313

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene?
The IUPAC name of 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene (CID 123272924) is 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene.
What is the SMILES notation for 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene?
The canonical SMILES for 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene is Cc1ccc(C2(c3ccc(Cc4cc(C)c5c(c4)-c4ccccc4C5(c4ccc(C)cc4)c4ccc(C)c(Cc5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)c3ccccc3-c3ccc(C)cc32)cc1.
What is the InChIKey of 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene?
The InChIKey is YXIUZWZNIKUJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H64/c1-53-31-39-64(40-32-53)81(73-27-15-12-24-68(73)70-46-35-55(3)47-77(70)81)65-44-37-58(38-45-65)49-59-48-57(5)79-72(50-59)69-25-13-16-28-74(69)82(79,66-41-33-54(2)34-42-66)67-43-36-56(4)61(52-67)51-60-19-18-30-76-78(60)71-26-14-17-29-75(71)80(76,62-20-8-6-9-21-62)63-22-10-7-11-23-63/h6-48,50,52H,49,51H2,1-5H3.
What are the key properties of 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene?
9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene has a molecular weight of 1049.41 g/mol, XLogP of 19.50, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene is sourced from PubChem (CID 123272924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).