9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole

C38H43NO6 — CID 177411126

IUPAC9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole
SMILESc1ccc(COC2COCC(OCCCn3c4ccccc4c4ccccc43)COCC(OCc3ccccc3)COC2)cc1
InChIInChI=1S/C38H43NO6/c1-3-12-30(13-4-1)22-44-33-26-40-24-32(25-41-27-34(29-42-28-33)45-23-31-14-5-2-6-15-31)43-21-11-20-39-37-18-9-7-16-35(37)36-17-8-10-19-38(36)39/h1-10,12-19,32-34H,11,20-29H2
InChIKeyCSIXQYPGLGPSED-UHFFFAOYSA-N
MW609.76 g/mol
LogP6.80
Rot. Bonds11

About 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole

9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole (PubChem CID 177411126) has the molecular formula C38H43NO6 and a molecular weight of 609.76 g/mol. Its IUPAC name is 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole.

Molecular Properties

Compound Name9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole
PubChem CID177411126
Molecular FormulaC38H43NO6
Molecular Weight609.76 g/mol
Exact Mass609.31
IUPAC Name9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole
SMILESc1ccc(COC2COCC(OCCCn3c4ccccc4c4ccccc43)COCC(OCc3ccccc3)COC2)cc1
InChIInChI=1S/C38H43NO6/c1-3-12-30(13-4-1)22-44-33-26-40-24-32(25-41-27-34(29-42-28-33)45-23-31-14-5-2-6-15-31)43-21-11-20-39-37-18-9-7-16-35(37)36-17-8-10-19-38(36)39/h1-10,12-19,32-34H,11,20-29H2
InChIKeyCSIXQYPGLGPSED-UHFFFAOYSA-N
XLogP6.80
TPSA60.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.76
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
4-phenylmethoxyoxane
CID 66554133
9-(phenylmethoxymethyl)carbazole
CID 2227531
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
3-phenylmethoxy-1,5-dioxa-9,13-dithiacyclohexadecane-7,15-diol
CID 15474964
bromozinc(1+);cyclobutyloxymethylbenzene
CID 172994803
(3R,4R)-3-iodo-4-phenylmethoxyoxolane
CID 165354577
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
[3-(oxetan-3-yloxymethyl)phenyl]methanamine
CID 102605746

Frequently Asked Questions

What is the IUPAC name of 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole?
The IUPAC name of 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole (CID 177411126) is 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole.
What is the SMILES notation for 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole?
The canonical SMILES for 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole is c1ccc(COC2COCC(OCCCn3c4ccccc4c4ccccc43)COCC(OCc3ccccc3)COC2)cc1.
What is the InChIKey of 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole?
The InChIKey is CSIXQYPGLGPSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43NO6/c1-3-12-30(13-4-1)22-44-33-26-40-24-32(25-41-27-34(29-42-28-33)45-23-31-14-5-2-6-15-31)43-21-11-20-39-37-18-9-7-16-35(37)36-17-8-10-19-38(36)39/h1-10,12-19,32-34H,11,20-29H2.
What are the key properties of 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole?
9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole has a molecular weight of 609.76 g/mol, XLogP of 6.80, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole is sourced from PubChem (CID 177411126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).