CID 164706114

C22H23NO — CID 164706114

IUPAC—
SMILESCc1cc2oc3ccccc3c2cc1C12[C]N(C)C(C)(CC1)CC2
InChIInChI=1S/C22H23NO/c1-15-12-20-17(16-6-4-5-7-19(16)24-20)13-18(15)22-10-8-21(2,9-11-22)23(3)14-22/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBLJUTMYETKVLGO-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.45
Rot. Bonds1

About CID 164706114

CID 164706114 (PubChem CID 164706114) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol.

Molecular Properties

Compound NameCID 164706114
PubChem CID164706114
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name—
SMILESCc1cc2oc3ccccc3c2cc1C12[C]N(C)C(C)(CC1)CC2
InChIInChI=1S/C22H23NO/c1-15-12-20-17(16-6-4-5-7-19(16)24-20)13-18(15)22-10-8-21(2,9-11-22)23(3)14-22/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBLJUTMYETKVLGO-UHFFFAOYSA-N
XLogP5.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162296056
6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane
CID 162296779
(3S)-1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 137454517
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162295435
(3S)-2,3-dimethyl-4-(3-methyldibenzofuran-2-yl)-3,5-dihydro-1H-2,4-benzodiazepine
CID 137454756
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
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Frequently Asked Questions

What is the IUPAC name of CID 164706114?
The IUPAC name of CID 164706114 (CID 164706114) is not available.
What is the SMILES notation for CID 164706114?
The canonical SMILES for CID 164706114 is Cc1cc2oc3ccccc3c2cc1C12[C]N(C)C(C)(CC1)CC2.
What is the InChIKey of CID 164706114?
The InChIKey is BLJUTMYETKVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-15-12-20-17(16-6-4-5-7-19(16)24-20)13-18(15)22-10-8-21(2,9-11-22)23(3)14-22/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of CID 164706114?
CID 164706114 has a molecular weight of 317.43 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164706114 is sourced from PubChem (CID 164706114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).