CID 129037961

C29H22O2 — CID 129037961

IUPAC—
SMILESCC1OC(O)C2(c3ccccc3-c3ccccc32)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C29H22O2/c1-18-28(23-14-6-2-10-19(23)20-11-3-7-15-24(20)28)29(27(30)31-18)25-16-8-4-12-21(25)22-13-5-9-17-26(22)29/h2-18,27,30H,1H3
InChIKeyHOKBUNUTCQBILL-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.66
Rot. Bonds

About CID 129037961

CID 129037961 (PubChem CID 129037961) has the molecular formula C29H22O2 and a molecular weight of 402.49 g/mol.

Molecular Properties

Compound NameCID 129037961
PubChem CID129037961
Molecular FormulaC29H22O2
Molecular Weight402.49 g/mol
Exact Mass402.16
IUPAC Name—
SMILESCC1OC(O)C2(c3ccccc3-c3ccccc32)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C29H22O2/c1-18-28(23-14-6-2-10-19(23)20-11-3-7-15-24(20)28)29(27(30)31-18)25-16-8-4-12-21(25)22-13-5-9-17-26(22)29/h2-18,27,30H,1H3
InChIKeyHOKBUNUTCQBILL-UHFFFAOYSA-N
XLogP5.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 129037961?
The IUPAC name of CID 129037961 (CID 129037961) is not available.
What is the SMILES notation for CID 129037961?
The canonical SMILES for CID 129037961 is CC1OC(O)C2(c3ccccc3-c3ccccc32)C12c1ccccc1-c1ccccc12.
What is the InChIKey of CID 129037961?
The InChIKey is HOKBUNUTCQBILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O2/c1-18-28(23-14-6-2-10-19(23)20-11-3-7-15-24(20)28)29(27(30)31-18)25-16-8-4-12-21(25)22-13-5-9-17-26(22)29/h2-18,27,30H,1H3.
What are the key properties of CID 129037961?
CID 129037961 has a molecular weight of 402.49 g/mol, XLogP of 5.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129037961 is sourced from PubChem (CID 129037961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).