(9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron

C67H56 — CID 139119853

IUPAC(9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron
SMILESCCCCCC1(CC2(C[C@@]3(CC4(Cc5ccccc5)c5ccccc5-c5ccccc54)c4ccc[c-]c4-c4ccccc43)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.[H+]
InChIInChI=1S/C67H55/c1-2-3-23-42-64(56-34-15-7-26-48(56)49-27-8-16-35-57(49)64)44-66(60-38-19-11-30-52(60)53-31-12-20-39-61(53)66)46-67(62-40-21-13-32-54(62)55-33-14-22-41-63(55)67)45-65(43-47-24-5-4-6-25-47)58-36-17-9-28-50(58)51-29-10-18-37-59(51)65/h4-22,24-32,34-41H,2-3,23,42-46H2,1H3/q-1/p+1/t67-/m1/s1
InChIKeyRTTXMBSVUNFYBE-XQIOEBDSSA-O
MW861.19 g/mol
LogP16.76
Rot. Bonds12

About (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron

(9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron (PubChem CID 139119853) has the molecular formula C67H56 and a molecular weight of 861.19 g/mol. Its IUPAC name is (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron.

Molecular Properties

Compound Name(9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron
PubChem CID139119853
Molecular FormulaC67H56
Molecular Weight861.19 g/mol
Exact Mass860.44
IUPAC Name(9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron
SMILESCCCCCC1(CC2(C[C@@]3(CC4(Cc5ccccc5)c5ccccc5-c5ccccc54)c4ccc[c-]c4-c4ccccc43)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.[H+]
InChIInChI=1S/C67H55/c1-2-3-23-42-64(56-34-15-7-26-48(56)49-27-8-16-35-57(49)64)44-66(60-38-19-11-30-52(60)53-31-12-20-39-61(53)66)46-67(62-40-21-13-32-54(62)55-33-14-22-41-63(55)67)45-65(43-47-24-5-4-6-25-47)58-36-17-9-28-50(58)51-29-10-18-37-59(51)65/h4-22,24-32,34-41H,2-3,23,42-46H2,1H3/q-1/p+1/t67-/m1/s1
InChIKeyRTTXMBSVUNFYBE-XQIOEBDSSA-O
XLogP16.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.19
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
4,4-dihexylindeno[1,2-b]thiophene
CID 58202963
9,9-bis[(9-ethylfluoren-9-yl)methyl]fluorene;9-butyl-9-[(9-butylfluoren-9-yl)methyl]fluorene;9-ethyl-9-[2-(9-ethylfluoren-9-yl)ethyl]fluorene;9-ethyl-9-[(9-ethylfluoren-9-yl)methyl]fluorene;9-methyl-9-[2-(9-methylfluoren-9-yl)ethyl]fluorene;9-methyl-9-[(9-methylfluoren-9-yl)methyl]fluorene;9-propyl-9-[(9-propylfluoren-9-yl)methyl]fluorene
CID 157111570
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-dioctylfluorene;2-methylpyrimidine
CID 174872093
CID 162235627
CID 162235627
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
3-bromo-9,9-dioctylfluorene
CID 139567905

Frequently Asked Questions

What is the IUPAC name of (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron?
The IUPAC name of (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron (CID 139119853) is (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron.
What is the SMILES notation for (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron?
The canonical SMILES for (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron is CCCCCC1(CC2(C[C@@]3(CC4(Cc5ccccc5)c5ccccc5-c5ccccc54)c4ccc[c-]c4-c4ccccc43)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.[H+].
What is the InChIKey of (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron?
The InChIKey is RTTXMBSVUNFYBE-XQIOEBDSSA-O. The full InChI is InChI=1S/C67H55/c1-2-3-23-42-64(56-34-15-7-26-48(56)49-27-8-16-35-57(49)64)44-66(60-38-19-11-30-52(60)53-31-12-20-39-61(53)66)46-67(62-40-21-13-32-54(62)55-33-14-22-41-63(55)67)45-65(43-47-24-5-4-6-25-47)58-36-17-9-28-50(58)51-29-10-18-37-59(51)65/h4-22,24-32,34-41H,2-3,23,42-46H2,1H3/q-1/p+1/t67-/m1/s1.
What are the key properties of (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron?
(9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron has a molecular weight of 861.19 g/mol, XLogP of 16.76, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-[(9-benzylfluoren-9-yl)methyl]-9-[[9-[(9-pentylfluoren-9-yl)methyl]fluoren-9-yl]methyl]-4H-fluoren-4-ide;hydron is sourced from PubChem (CID 139119853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).