ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene

C52H78N4O2 — CID 161054338

IUPACethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene
SMILESCCNC.CCNC.CCc1ccccc1.CCc1ccccc1.CNC.CNC.COC.COC1c2ccccc2-c2ccccc21.c1ccc2ccccc2c1
InChIInChI=1S/C14H12O.C10H8.2C8H10.2C3H9N.2C2H7N.C2H6O/c1-15-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-8-6-4-3-5-7-8;2*1-3-4-2;3*1-3-2/h2-9,14H,1H3;1-8H;2*3-7H,2H2,1H3;2*4H,3H2,1-2H3;2*3H,1-2H3;1-2H3
InChIKeyUCNVMTYVWAQBNJ-UHFFFAOYSA-N
MW791.22 g/mol
LogP11.13
Rot. Bonds5

About ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene

ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene (PubChem CID 161054338) has the molecular formula C52H78N4O2 and a molecular weight of 791.22 g/mol. Its IUPAC name is ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene.

Molecular Properties

Compound Nameethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene
PubChem CID161054338
Molecular FormulaC52H78N4O2
Molecular Weight791.22 g/mol
Exact Mass790.61
IUPAC Nameethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene
SMILESCCNC.CCNC.CCc1ccccc1.CCc1ccccc1.CNC.CNC.COC.COC1c2ccccc2-c2ccccc21.c1ccc2ccccc2c1
InChIInChI=1S/C14H12O.C10H8.2C8H10.2C3H9N.2C2H7N.C2H6O/c1-15-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-8-6-4-3-5-7-8;2*1-3-4-2;3*1-3-2/h2-9,14H,1H3;1-8H;2*3-7H,2H2,1H3;2*4H,3H2,1-2H3;2*3H,1-2H3;1-2H3
InChIKeyUCNVMTYVWAQBNJ-UHFFFAOYSA-N
XLogP11.13
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.22
LogP ≤ 511.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 19063869
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CID 91307642
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CID 163537509
ethylcyclodecapentaene
CID 90861705
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CID 90842646
4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene
CID 158158982
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
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CID 161189179
5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile
CID 44604597
chloro hypochlorite;ethylbenzene
CID 159036080
ethylbenzene;propane;hydroiodide
CID 142182216

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene?
The IUPAC name of ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene (CID 161054338) is ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene.
What is the SMILES notation for ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene?
The canonical SMILES for ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene is CCNC.CCNC.CCc1ccccc1.CCc1ccccc1.CNC.CNC.COC.COC1c2ccccc2-c2ccccc21.c1ccc2ccccc2c1.
What is the InChIKey of ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene?
The InChIKey is UCNVMTYVWAQBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C10H8.2C8H10.2C3H9N.2C2H7N.C2H6O/c1-15-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-8-6-4-3-5-7-8;2*1-3-4-2;3*1-3-2/h2-9,14H,1H3;1-8H;2*3-7H,2H2,1H3;2*4H,3H2,1-2H3;2*3H,1-2H3;1-2H3.
What are the key properties of ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene?
ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene has a molecular weight of 791.22 g/mol, XLogP of 11.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene is sourced from PubChem (CID 161054338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).