CID 89129248

C35H37BO2 — CID 89129248

IUPAC—
SMILES[B]c1ccc2c(c1)C(c1ccc(OCC(C)CC)cc1)(c1ccc(OCC(C)CC)cc1)c1ccccc1-2
InChIInChI=1S/C35H37BO2/c1-5-24(3)22-37-29-16-11-26(12-17-29)35(27-13-18-30(19-14-27)38-23-25(4)6-2)33-10-8-7-9-31(33)32-20-15-28(36)21-34(32)35/h7-21,24-25H,5-6,22-23H2,1-4H3
InChIKeyOLBKYGOZHVTNEO-UHFFFAOYSA-N
MW500.49 g/mol
LogP7.69
Rot. Bonds10

About CID 89129248

CID 89129248 (PubChem CID 89129248) has the molecular formula C35H37BO2 and a molecular weight of 500.49 g/mol.

Molecular Properties

Compound NameCID 89129248
PubChem CID89129248
Molecular FormulaC35H37BO2
Molecular Weight500.49 g/mol
Exact Mass500.29
IUPAC Name—
SMILES[B]c1ccc2c(c1)C(c1ccc(OCC(C)CC)cc1)(c1ccc(OCC(C)CC)cc1)c1ccccc1-2
InChIInChI=1S/C35H37BO2/c1-5-24(3)22-37-29-16-11-26(12-17-29)35(27-13-18-30(19-14-27)38-23-25(4)6-2)33-10-8-7-9-31(33)32-20-15-28(36)21-34(32)35/h7-21,24-25H,5-6,22-23H2,1-4H3
InChIKeyOLBKYGOZHVTNEO-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.49
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[9-[4-(2-sulfanylbutoxy)phenyl]fluoren-9-yl]phenoxy]butane-2-thiol
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9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
CID 68928055
CID 58556141
CID 58556141
CID 147413538
CID 147413538
CID 89075733
CID 89075733
CID 89263922
CID 89263922
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
3-[4-[9-[4-(3-butoxy-2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]-2-methylpropan-1-ol
CID 159370670
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
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Frequently Asked Questions

What is the IUPAC name of CID 89129248?
The IUPAC name of CID 89129248 (CID 89129248) is not available.
What is the SMILES notation for CID 89129248?
The canonical SMILES for CID 89129248 is [B]c1ccc2c(c1)C(c1ccc(OCC(C)CC)cc1)(c1ccc(OCC(C)CC)cc1)c1ccccc1-2.
What is the InChIKey of CID 89129248?
The InChIKey is OLBKYGOZHVTNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37BO2/c1-5-24(3)22-37-29-16-11-26(12-17-29)35(27-13-18-30(19-14-27)38-23-25(4)6-2)33-10-8-7-9-31(33)32-20-15-28(36)21-34(32)35/h7-21,24-25H,5-6,22-23H2,1-4H3.
What are the key properties of CID 89129248?
CID 89129248 has a molecular weight of 500.49 g/mol, XLogP of 7.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89129248 is sourced from PubChem (CID 89129248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).