CID 19050334

C41H58N2O3Si — CID 19050334

IUPAC—
SMILESCCCCCC(C)CCCCCCC(C)[Si]C1Oc2ccc(-c3ncc(-c4ccc(OCCCCCCC5CC5)cc4)cn3)cc2O1
InChIInChI=1S/C41H58N2O3Si/c1-4-5-10-15-31(2)16-11-6-7-12-17-32(3)47-41-45-38-26-23-35(28-39(38)46-41)40-42-29-36(30-43-40)34-21-24-37(25-22-34)44-27-14-9-8-13-18-33-19-20-33/h21-26,28-33,41H,4-20,27H2,1-3H3
InChIKeyGYTHRJRHHCQUGP-UHFFFAOYSA-N
MW655.01 g/mol
LogP11.67
Rot. Bonds23

About CID 19050334

CID 19050334 (PubChem CID 19050334) has the molecular formula C41H58N2O3Si and a molecular weight of 655.01 g/mol.

Molecular Properties

Compound NameCID 19050334
PubChem CID19050334
Molecular FormulaC41H58N2O3Si
Molecular Weight655.01 g/mol
Exact Mass654.42
IUPAC Name—
SMILESCCCCCC(C)CCCCCCC(C)[Si]C1Oc2ccc(-c3ncc(-c4ccc(OCCCCCCC5CC5)cc4)cn3)cc2O1
InChIInChI=1S/C41H58N2O3Si/c1-4-5-10-15-31(2)16-11-6-7-12-17-32(3)47-41-45-38-26-23-35(28-39(38)46-41)40-42-29-36(30-43-40)34-21-24-37(25-22-34)44-27-14-9-8-13-18-33-19-20-33/h21-26,28-33,41H,4-20,27H2,1-3H3
InChIKeyGYTHRJRHHCQUGP-UHFFFAOYSA-N
XLogP11.67
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.01
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 19050471
CID 19050471
5-(7-cyclopropylheptoxy)-2-(4-nonoxyphenyl)pyrimidine
CID 14474617
5-(8-cyclopropyloctoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474626
5-(7-cyclopropylheptoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474619
2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine
CID 14474593
5-[4-[4-(6-cyclopentylhexoxy)phenyl]phenyl]-2-heptylpyrimidine
CID 19083592
5-[(4S)-4-methylhexyl]-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyrimidine
CID 54137469
2-(4-heptoxyphenyl)-5-(4-heptylcyclohexyl)pyrimidine;2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine
CID 160954662
CID 19050258
CID 19050258
2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]-5-nonylpyrimidine
CID 19739016
5-[2-(4-heptylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine;5-[2-(4-nonylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine
CID 157335064
2-[4-[3-(4-hexylcyclohexyl)propoxy]phenyl]-5-pentylpyrimidine
CID 19738955

Frequently Asked Questions

What is the IUPAC name of CID 19050334?
The IUPAC name of CID 19050334 (CID 19050334) is not available.
What is the SMILES notation for CID 19050334?
The canonical SMILES for CID 19050334 is CCCCCC(C)CCCCCCC(C)[Si]C1Oc2ccc(-c3ncc(-c4ccc(OCCCCCCC5CC5)cc4)cn3)cc2O1.
What is the InChIKey of CID 19050334?
The InChIKey is GYTHRJRHHCQUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58N2O3Si/c1-4-5-10-15-31(2)16-11-6-7-12-17-32(3)47-41-45-38-26-23-35(28-39(38)46-41)40-42-29-36(30-43-40)34-21-24-37(25-22-34)44-27-14-9-8-13-18-33-19-20-33/h21-26,28-33,41H,4-20,27H2,1-3H3.
What are the key properties of CID 19050334?
CID 19050334 has a molecular weight of 655.01 g/mol, XLogP of 11.67, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19050334 is sourced from PubChem (CID 19050334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).