9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene

C58H82O4 — CID 102164450

IUPAC9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene
SMILESCCCCCCCCOc1cc2c(cc1OCCCCCCCC)C(C1c3ccccc3-c3ccccc31)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1-2
InChIInChI=1S/C58H82O4/c1-5-9-13-17-21-29-37-59-53-41-49-50-42-54(60-38-30-22-18-14-10-6-2)56(62-40-32-24-20-16-12-8-4)44-52(50)58(51(49)43-55(53)61-39-31-23-19-15-11-7-3)57-47-35-27-25-33-45(47)46-34-26-28-36-48(46)57/h25-28,33-36,41-44,57-58H,5-24,29-32,37-40H2,1-4H3
InChIKeyPPOADLISWNGLMW-UHFFFAOYSA-N
MW843.29 g/mol
LogP17.57
Rot. Bonds33

About 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene

9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene (PubChem CID 102164450) has the molecular formula C58H82O4 and a molecular weight of 843.29 g/mol. Its IUPAC name is 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene.

Molecular Properties

Compound Name9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene
PubChem CID102164450
Molecular FormulaC58H82O4
Molecular Weight843.29 g/mol
Exact Mass842.62
IUPAC Name9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene
SMILESCCCCCCCCOc1cc2c(cc1OCCCCCCCC)C(C1c3ccccc3-c3ccccc31)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1-2
InChIInChI=1S/C58H82O4/c1-5-9-13-17-21-29-37-59-53-41-49-50-42-54(60-38-30-22-18-14-10-6-2)56(62-40-32-24-20-16-12-8-4)44-52(50)58(51(49)43-55(53)61-39-31-23-19-15-11-7-3)57-47-35-27-25-33-45(47)46-34-26-28-36-48(46)57/h25-28,33-36,41-44,57-58H,5-24,29-32,37-40H2,1-4H3
InChIKeyPPOADLISWNGLMW-UHFFFAOYSA-N
XLogP17.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.29
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene with MolForge

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Related Compounds

2,7-bis[6-(9H-fluoren-9-yl)hexoxy]-3,6,10,11-tetrapentoxytriphenylene
CID 101153566
1-octadecoxy-2-phenylbenzene
CID 70983974
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
(1S,3R,10S,12R)-6,7,15,16-tetrahexoxy-19,20-dioxahexacyclo[10.6.1.13,10.02,11.04,9.013,18]icosa-4,6,8,13,15,17-hexaene
CID 15266031
2,3-dihexadecoxytetracene-5,12-dione
CID 86042647
4,5-dihexoxyhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 177405300
9-pentoxy-9H-fluorene
CID 175299691
(3,6,7,10,11-pentapentoxytriphenylen-2-yl) 4-(9H-fluoren-9-yl)butanoate
CID 101153563
9-nonyl-9H-fluorene
CID 22568532
2-dodecoxy-3,6,7,10,11-pentahexoxytriphenylene
CID 86225228
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967
5,6-dioctoxy-2,3-dihydro-1H-isoindole-1,3-diamine
CID 21263548

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene?
The IUPAC name of 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene (CID 102164450) is 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene.
What is the SMILES notation for 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene?
The canonical SMILES for 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene is CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C(C1c3ccccc3-c3ccccc31)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1-2.
What is the InChIKey of 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene?
The InChIKey is PPOADLISWNGLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H82O4/c1-5-9-13-17-21-29-37-59-53-41-49-50-42-54(60-38-30-22-18-14-10-6-2)56(62-40-32-24-20-16-12-8-4)44-52(50)58(51(49)43-55(53)61-39-31-23-19-15-11-7-3)57-47-35-27-25-33-45(47)46-34-26-28-36-48(46)57/h25-28,33-36,41-44,57-58H,5-24,29-32,37-40H2,1-4H3.
What are the key properties of 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene?
9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene has a molecular weight of 843.29 g/mol, XLogP of 17.57, 33 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene is sourced from PubChem (CID 102164450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).