benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]

C73H98 — CID 158621431

IUPACbenzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(Cc2ccccc2)cc1.c1ccc2c(c1)CCC21CCc2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1C2
InChIInChI=1S/C17H16.C14H12.C13H10.C13H12.8C2H6/c1-3-7-15-13(5-1)9-11-17(15)12-10-14-6-2-4-8-16(14)17;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;8*1-2/h1-8H,9-12H2;1-8H,9-10H2;1-8H,9H2;1-10H,11H2;8*1-2H3
InChIKeyHYAVQNVZEFPKGS-UHFFFAOYSA-N
MW975.59 g/mol
LogP21.79
Rot. Bonds2

About benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]

benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene] (PubChem CID 158621431) has the molecular formula C73H98 and a molecular weight of 975.59 g/mol. Its IUPAC name is benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene].

Molecular Properties

Compound Namebenzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]
PubChem CID158621431
Molecular FormulaC73H98
Molecular Weight975.59 g/mol
Exact Mass974.77
IUPAC Namebenzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(Cc2ccccc2)cc1.c1ccc2c(c1)CCC21CCc2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1C2
InChIInChI=1S/C17H16.C14H12.C13H10.C13H12.8C2H6/c1-3-7-15-13(5-1)9-11-17(15)12-10-14-6-2-4-8-16(14)17;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;8*1-2/h1-8H,9-12H2;1-8H,9-10H2;1-8H,9H2;1-10H,11H2;8*1-2H3
InChIKeyHYAVQNVZEFPKGS-UHFFFAOYSA-N
XLogP21.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.59
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene] with MolForge

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Related Compounds

3-benzyl-9H-fluorene
CID 57310019
benzylbenzene;ethane;9H-fluorene;pyrene;toluene
CID 157273743
2-[4-[(3-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 142614829
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole
CID 121465195
1,4-dibenzylbenzene;ethane
CID 91406396
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]?
The IUPAC name of benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene] (CID 158621431) is benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene].
What is the SMILES notation for benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]?
The canonical SMILES for benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene] is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(Cc2ccccc2)cc1.c1ccc2c(c1)CCC21CCc2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1C2.
What is the InChIKey of benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]?
The InChIKey is HYAVQNVZEFPKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16.C14H12.C13H10.C13H12.8C2H6/c1-3-7-15-13(5-1)9-11-17(15)12-10-14-6-2-4-8-16(14)17;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;8*1-2/h1-8H,9-12H2;1-8H,9-10H2;1-8H,9H2;1-10H,11H2;8*1-2H3.
What are the key properties of benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene]?
benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene] has a molecular weight of 975.59 g/mol, XLogP of 21.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;9,10-dihydroanthracene;ethane;9H-fluorene;3,3'-spirobi[1,2-dihydroindene] is sourced from PubChem (CID 158621431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).