CID 129022969

C44H25ClO — CID 129022969

IUPAC—
SMILESClc1ccc2c(c1)-c1cc3oc4ccccc4c3cc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C44H25ClO/c45-26-21-22-35-30(23-26)31-25-42-32(29-13-3-10-20-41(29)46-42)24-40(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
InChIKeyUDNOHHOVZZQRTF-UHFFFAOYSA-N
MW605.14 g/mol
LogP11.28
Rot. Bonds

About CID 129022969

CID 129022969 (PubChem CID 129022969) has the molecular formula C44H25ClO and a molecular weight of 605.14 g/mol.

Molecular Properties

Compound NameCID 129022969
PubChem CID129022969
Molecular FormulaC44H25ClO
Molecular Weight605.14 g/mol
Exact Mass604.16
IUPAC Name—
SMILESClc1ccc2c(c1)-c1cc3oc4ccccc4c3cc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C44H25ClO/c45-26-21-22-35-30(23-26)31-25-42-32(29-13-3-10-20-41(29)46-42)24-40(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
InChIKeyUDNOHHOVZZQRTF-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 129023259
CID 129023259
CID 129023261
CID 129023261
CID 129022952
CID 129022952
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
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 129023009
CID 129023009
spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 146268353
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
CID 129023472
CID 129023472
CID 140918548
CID 140918548
N-dibenzofuran-2-yl-N-(4-phenylphenyl)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'-amine
CID 130463127

Frequently Asked Questions

What is the IUPAC name of CID 129022969?
The IUPAC name of CID 129022969 (CID 129022969) is not available.
What is the SMILES notation for CID 129022969?
The canonical SMILES for CID 129022969 is Clc1ccc2c(c1)-c1cc3oc4ccccc4c3cc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of CID 129022969?
The InChIKey is UDNOHHOVZZQRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25ClO/c45-26-21-22-35-30(23-26)31-25-42-32(29-13-3-10-20-41(29)46-42)24-40(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 129022969?
CID 129022969 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 129022969 is sourced from PubChem (CID 129022969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).