CID 129022952

C44H25ClO — CID 129022952

IUPAC—
SMILESClc1cccc2c1-c1cc3oc4ccccc4c3cc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C44H25ClO/c45-39-22-11-21-37-42(39)30-25-41-29(28-14-3-10-23-40(28)46-41)24-38(30)44(37)35-19-8-6-17-33(35)43(34-18-7-9-20-36(34)44)31-15-4-1-12-26(31)27-13-2-5-16-32(27)43/h1-25H
InChIKeyQRWSQNRZQPQALR-UHFFFAOYSA-N
MW605.14 g/mol
LogP11.28
Rot. Bonds

About CID 129022952

CID 129022952 (PubChem CID 129022952) has the molecular formula C44H25ClO and a molecular weight of 605.14 g/mol.

Molecular Properties

Compound NameCID 129022952
PubChem CID129022952
Molecular FormulaC44H25ClO
Molecular Weight605.14 g/mol
Exact Mass604.16
IUPAC Name—
SMILESClc1cccc2c1-c1cc3oc4ccccc4c3cc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C44H25ClO/c45-39-22-11-21-37-42(39)30-25-41-29(28-14-3-10-23-40(28)46-41)24-38(30)44(37)35-19-8-6-17-33(35)43(34-18-7-9-20-36(34)44)31-15-4-1-12-26(31)27-13-2-5-16-32(27)43/h1-25H
InChIKeyQRWSQNRZQPQALR-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
CID 129023259
CID 129023259
CID 129023261
CID 129023261
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
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
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
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
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-7-yl-1,3,5-triazine
CID 167340541
3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran
CID 155483429
CID 129023009
CID 129023009
CID 129023376
CID 129023376
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073

Frequently Asked Questions

What is the IUPAC name of CID 129022952?
The IUPAC name of CID 129022952 (CID 129022952) is not available.
What is the SMILES notation for CID 129022952?
The canonical SMILES for CID 129022952 is Clc1cccc2c1-c1cc3oc4ccccc4c3cc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of CID 129022952?
The InChIKey is QRWSQNRZQPQALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25ClO/c45-39-22-11-21-37-42(39)30-25-41-29(28-14-3-10-23-40(28)46-41)24-38(30)44(37)35-19-8-6-17-33(35)43(34-18-7-9-20-36(34)44)31-15-4-1-12-26(31)27-13-2-5-16-32(27)43/h1-25H.
What are the key properties of CID 129022952?
CID 129022952 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 129022952 is sourced from PubChem (CID 129022952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).