CID 129023259

C44H25ClO — CID 129023259

IUPAC—
SMILESClc1ccc2c(c1)-c1cc3c(cc1C21c2ccccc2C2(c4ccccc4-c4ccccc42)c2ccccc21)oc1ccccc13
InChIInChI=1S/C44H25ClO/c45-26-21-22-35-30(23-26)31-24-32-29-13-3-10-20-41(29)46-42(32)25-40(31)44(35)38-18-8-6-16-36(38)43(37-17-7-9-19-39(37)44)33-14-4-1-11-27(33)28-12-2-5-15-34(28)43/h1-25H
InChIKeyUNCQBIBDZCLDBR-UHFFFAOYSA-N
MW605.14 g/mol
LogP11.28
Rot. Bonds

About CID 129023259

CID 129023259 (PubChem CID 129023259) has the molecular formula C44H25ClO and a molecular weight of 605.14 g/mol.

Molecular Properties

Compound NameCID 129023259
PubChem CID129023259
Molecular FormulaC44H25ClO
Molecular Weight605.14 g/mol
Exact Mass604.16
IUPAC Name—
SMILESClc1ccc2c(c1)-c1cc3c(cc1C21c2ccccc2C2(c4ccccc4-c4ccccc42)c2ccccc21)oc1ccccc13
InChIInChI=1S/C44H25ClO/c45-26-21-22-35-30(23-26)31-24-32-29-13-3-10-20-41(29)46-42(32)25-40(31)44(35)38-18-8-6-16-36(38)43(37-17-7-9-19-39(37)44)33-14-4-1-11-27(33)28-12-2-5-15-34(28)43/h1-25H
InChIKeyUNCQBIBDZCLDBR-UHFFFAOYSA-N
XLogP11.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.14
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 129022969
CID 129022969
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
CID 129023261
CID 129023261
CID 129022952
CID 129022952
CID 140918548
CID 140918548
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
CID 129023365
CID 129023365
spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
CID 166096305
3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483785
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573455
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287979
CID 102192841
CID 102192841

Frequently Asked Questions

What is the IUPAC name of CID 129023259?
The IUPAC name of CID 129023259 (CID 129023259) is not available.
What is the SMILES notation for CID 129023259?
The canonical SMILES for CID 129023259 is Clc1ccc2c(c1)-c1cc3c(cc1C21c2ccccc2C2(c4ccccc4-c4ccccc42)c2ccccc21)oc1ccccc13.
What is the InChIKey of CID 129023259?
The InChIKey is UNCQBIBDZCLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25ClO/c45-26-21-22-35-30(23-26)31-24-32-29-13-3-10-20-41(29)46-42(32)25-40(31)44(35)38-18-8-6-16-36(38)43(37-17-7-9-19-39(37)44)33-14-4-1-11-27(33)28-12-2-5-15-34(28)43/h1-25H.
What are the key properties of CID 129023259?
CID 129023259 has a molecular weight of 605.14 g/mol, XLogP of 11.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129023259 is sourced from PubChem (CID 129023259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).