2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene

C79H58 — CID 140873520

IUPAC2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc(C5(c6cccc(-c7cc(-c8ccccc8)cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)c7)c6)c6ccccc6-c6ccccc65)c4)c3)cc21
InChIInChI=1S/C79H58/c1-77(2)71-33-15-11-29-65(71)69-39-37-55(49-75(69)77)61-43-57(51-21-7-5-8-22-51)41-59(45-61)53-25-19-27-63(47-53)79(73-35-17-13-31-67(73)68-32-14-18-36-74(68)79)64-28-20-26-54(48-64)60-42-58(52-23-9-6-10-24-52)44-62(46-60)56-38-40-70-66-30-12-16-34-72(66)78(3,4)76(70)50-56/h5-50H,1-4H3
InChIKeyNQHSYNQRKJNKQV-UHFFFAOYSA-N
MW1007.33 g/mol
LogP20.66
Rot. Bonds8

About 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene

2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene (PubChem CID 140873520) has the molecular formula C79H58 and a molecular weight of 1007.33 g/mol. Its IUPAC name is 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
PubChem CID140873520
Molecular FormulaC79H58
Molecular Weight1007.33 g/mol
Exact Mass1006.45
IUPAC Name2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc(C5(c6cccc(-c7cc(-c8ccccc8)cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)c7)c6)c6ccccc6-c6ccccc65)c4)c3)cc21
InChIInChI=1S/C79H58/c1-77(2)71-33-15-11-29-65(71)69-39-37-55(49-75(69)77)61-43-57(51-21-7-5-8-22-51)41-59(45-61)53-25-19-27-63(47-53)79(73-35-17-13-31-67(73)68-32-14-18-36-74(68)79)64-28-20-26-54(48-64)60-42-58(52-23-9-6-10-24-52)44-62(46-60)56-38-40-70-66-30-12-16-34-72(66)78(3,4)76(70)50-56/h5-50H,1-4H3
InChIKeyNQHSYNQRKJNKQV-UHFFFAOYSA-N
XLogP20.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.33
LogP ≤ 520.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175618041
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
N-[7-[3-[3-[2-(N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-2-phenylanilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 139469384
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
CID 140720702
CID 140720702
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 163695786

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene?
The IUPAC name of 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene (CID 140873520) is 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc(C5(c6cccc(-c7cc(-c8ccccc8)cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)c7)c6)c6ccccc6-c6ccccc65)c4)c3)cc21.
What is the InChIKey of 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene?
The InChIKey is NQHSYNQRKJNKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H58/c1-77(2)71-33-15-11-29-65(71)69-39-37-55(49-75(69)77)61-43-57(51-21-7-5-8-22-51)41-59(45-61)53-25-19-27-63(47-53)79(73-35-17-13-31-67(73)68-32-14-18-36-74(68)79)64-28-20-26-54(48-64)60-42-58(52-23-9-6-10-24-52)44-62(46-60)56-38-40-70-66-30-12-16-34-72(66)78(3,4)76(70)50-56/h5-50H,1-4H3.
What are the key properties of 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene?
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene has a molecular weight of 1007.33 g/mol, XLogP of 20.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 140873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).