anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene

C135H136 — CID 157234575

IUPACanthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H16.2C20H14.C14H10.C12H10.C10H8.2C7H8.C6H6.7C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;7*1-2/h1-16H;1-8,11-12H,9-10H2;1-10H,11-12H2;1-10H;1-10H;1-8H;2*2-6H,1H3;1-6H;7*1-2H3
InChIKeyAUMGFOKLKMRLCZ-UHFFFAOYSA-N
MW1758.57 g/mol
LogP38.73
Rot. Bonds1

About anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene

anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene (PubChem CID 157234575) has the molecular formula C135H136 and a molecular weight of 1758.57 g/mol. Its IUPAC name is anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene.

Molecular Properties

Compound Nameanthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene
PubChem CID157234575
Molecular FormulaC135H136
Molecular Weight1758.57 g/mol
Exact Mass1757.06
IUPAC Nameanthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H16.2C20H14.C14H10.C12H10.C10H8.2C7H8.C6H6.7C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;7*1-2/h1-16H;1-8,11-12H,9-10H2;1-10H,11-12H2;1-10H;1-10H;1-8H;2*2-6H,1H3;1-6H;7*1-2H3
InChIKeyAUMGFOKLKMRLCZ-UHFFFAOYSA-N
XLogP38.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001758.57
LogP ≤ 538.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene with MolForge

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Related Compounds

benzene;carbanide;tris(11,12-dihydroindeno[2,1-a]fluorene);1,2-diphenylbenzene;ethane;1-naphthalen-1-ylnaphthalene;spiro[6H-indeno[1,2-b]fluorene-12,9'-fluorene];yttrium
CID 158765105
ethane;9H-fluorene;naphthalene;toluene
CID 160674058
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene
CID 159089276
2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
CID 144558249
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2,7-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,9-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;bis(2-methyl-7-(3-methylphenyl)-9H-fluorene);bis(2-methyl-7-(4-methylphenyl)-9H-fluorene);6-methyl-2-(3-methylphenyl)-9H-fluorene;6-methyl-2-(4-methylphenyl)-9H-fluorene
CID 159386502
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene?
The IUPAC name of anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene (CID 157234575) is anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene.
What is the SMILES notation for anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene?
The canonical SMILES for anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene is CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene?
The InChIKey is AUMGFOKLKMRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.2C20H14.C14H10.C12H10.C10H8.2C7H8.C6H6.7C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;7*1-2/h1-16H;1-8,11-12H,9-10H2;1-10H,11-12H2;1-10H;1-10H;1-8H;2*2-6H,1H3;1-6H;7*1-2H3.
What are the key properties of anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene?
anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene has a molecular weight of 1758.57 g/mol, XLogP of 38.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene is sourced from PubChem (CID 157234575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).