tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)

C60H104N4 — CID 161066548

IUPACtetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)
SMILESC1=Cc2c3c(c4ccccc4c2C1)CC=C3.C1=Cc2c3c(c4ccccc4c2C1)CC=C3.CC.CC.CC.CC.CC.CC.CCN(C)C.CCN(C)C.CCN(C)C.CCN(C)C
InChIInChI=1S/2C16H12.4C4H11N.6C2H6/c2*1-2-6-12-11(5-1)13-7-3-9-15(13)16-10-4-8-14(12)16;4*1-4-5(2)3;6*1-2/h2*1-6,9-10H,7-8H2;4*4H2,1-3H3;6*1-2H3
InChIKeyUECDRQFRQCDOIK-UHFFFAOYSA-N
MW881.52 g/mol
LogP16.39
Rot. Bonds4

About tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)

tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene) (PubChem CID 161066548) has the molecular formula C60H104N4 and a molecular weight of 881.52 g/mol. Its IUPAC name is tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene).

Molecular Properties

Compound Nametetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)
PubChem CID161066548
Molecular FormulaC60H104N4
Molecular Weight881.52 g/mol
Exact Mass880.83
IUPAC Nametetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)
SMILESC1=Cc2c3c(c4ccccc4c2C1)CC=C3.C1=Cc2c3c(c4ccccc4c2C1)CC=C3.CC.CC.CC.CC.CC.CC.CCN(C)C.CCN(C)C.CCN(C)C.CCN(C)C
InChIInChI=1S/2C16H12.4C4H11N.6C2H6/c2*1-2-6-12-11(5-1)13-7-3-9-15(13)16-10-4-8-14(12)16;4*1-4-5(2)3;6*1-2/h2*1-6,9-10H,7-8H2;4*4H2,1-3H3;6*1-2H3
InChIKeyUECDRQFRQCDOIK-UHFFFAOYSA-N
XLogP16.39
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.52
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene) with MolForge

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Related Compounds

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CID 159486837
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9,10-dimethyl-3,4-dihydrophenanthrene
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CID 158927443
N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole
CID 157122077
pentacyclo[10.7.0.02,6.07,11.013,17]nonadeca-1,4,6,8,11,13(17),14,18-octaene
CID 158386191
4H-triphenylen-1-one
CID 21225631
9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine
CID 19088292

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)?
The IUPAC name of tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene) (CID 161066548) is tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene).
What is the SMILES notation for tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)?
The canonical SMILES for tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene) is C1=Cc2c3c(c4ccccc4c2C1)CC=C3.C1=Cc2c3c(c4ccccc4c2C1)CC=C3.CC.CC.CC.CC.CC.CC.CCN(C)C.CCN(C)C.CCN(C)C.CCN(C)C.
What is the InChIKey of tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)?
The InChIKey is UECDRQFRQCDOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12.4C4H11N.6C2H6/c2*1-2-6-12-11(5-1)13-7-3-9-15(13)16-10-4-8-14(12)16;4*1-4-5(2)3;6*1-2/h2*1-6,9-10H,7-8H2;4*4H2,1-3H3;6*1-2H3.
What are the key properties of tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)?
tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene) has a molecular weight of 881.52 g/mol, XLogP of 16.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene) is sourced from PubChem (CID 161066548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).