bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)

C102H126N2 — CID 162034367

IUPACbis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)
SMILESCC.CC.CC.CC.CC.CC.CC#N.CC#N.CCc1cc(C)cc(C)c1.CCc1cc(C)cc(C)c1.CCc1ccccc1.CCc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C25H18.2C10H14.2C8H10.2C2H3N.6C2H6/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-4-10-6-8(2)5-9(3)7-10;2*1-2-8-6-4-3-5-7-8;2*1-2-3;6*1-2/h2*1-18H;2*5-7H,4H2,1-3H3;2*3-7H,2H2,1H3;2*1H3;6*1-2H3
InChIKeyYWLIJPFWRAUXHI-UHFFFAOYSA-N
MW1380.14 g/mol
LogP29.55
Rot. Bonds8

About bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)

bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene) (PubChem CID 162034367) has the molecular formula C102H126N2 and a molecular weight of 1380.14 g/mol. Its IUPAC name is bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene).

Molecular Properties

Compound Namebis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)
PubChem CID162034367
Molecular FormulaC102H126N2
Molecular Weight1380.14 g/mol
Exact Mass1378.99
IUPAC Namebis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)
SMILESCC.CC.CC.CC.CC.CC.CC#N.CC#N.CCc1cc(C)cc(C)c1.CCc1cc(C)cc(C)c1.CCc1ccccc1.CCc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C25H18.2C10H14.2C8H10.2C2H3N.6C2H6/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-4-10-6-8(2)5-9(3)7-10;2*1-2-8-6-4-3-5-7-8;2*1-2-3;6*1-2/h2*1-18H;2*5-7H,4H2,1-3H3;2*3-7H,2H2,1H3;2*1H3;6*1-2H3
InChIKeyYWLIJPFWRAUXHI-UHFFFAOYSA-N
XLogP29.55
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001380.14
LogP ≤ 529.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;propane
CID 158205050
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
CID 160693134

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)?
The IUPAC name of bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene) (CID 162034367) is bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene).
What is the SMILES notation for bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)?
The canonical SMILES for bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene) is CC.CC.CC.CC.CC.CC.CC#N.CC#N.CCc1cc(C)cc(C)c1.CCc1cc(C)cc(C)c1.CCc1ccccc1.CCc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)?
The InChIKey is YWLIJPFWRAUXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18.2C10H14.2C8H10.2C2H3N.6C2H6/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-4-10-6-8(2)5-9(3)7-10;2*1-2-8-6-4-3-5-7-8;2*1-2-3;6*1-2/h2*1-18H;2*5-7H,4H2,1-3H3;2*3-7H,2H2,1H3;2*1H3;6*1-2H3.
What are the key properties of bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)?
bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene) has a molecular weight of 1380.14 g/mol, XLogP of 29.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene) is sourced from PubChem (CID 162034367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).