bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene

C168H186 — CID 159447619

IUPACbis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1ccc2c3c(cccc13)-c1ccccc1-2.c1cc2c3c(c1)CCc1cccc(c1-3)CC2.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C25H16.C25H18.C17H12.C16H14.C16H10.C15H14.2C14H12.13C2H6/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;1-3-11-19(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;1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;13*1-2/h1-16H;1-18H;2-10H,1H3;1-6H,7-10H2;1-10H;3-10H,1-2H3;2*1-8H,9-10H2;13*1-2H3
InChIKeyLSYNXHMLQILBPR-UHFFFAOYSA-N
MW2205.34 g/mol
LogP49.25
Rot. Bonds2

About bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene

bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene (PubChem CID 159447619) has the molecular formula C168H186 and a molecular weight of 2205.34 g/mol. Its IUPAC name is bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene.

Molecular Properties

Compound Namebis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene
PubChem CID159447619
Molecular FormulaC168H186
Molecular Weight2205.34 g/mol
Exact Mass2203.46
IUPAC Namebis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1ccc2c3c(cccc13)-c1ccccc1-2.c1cc2c3c(c1)CCc1cccc(c1-3)CC2.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C25H16.C25H18.C17H12.C16H14.C16H10.C15H14.2C14H12.13C2H6/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;1-3-11-19(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;1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;13*1-2/h1-16H;1-18H;2-10H,1H3;1-6H,7-10H2;1-10H;3-10H,1-2H3;2*1-8H,9-10H2;13*1-2H3
InChIKeyLSYNXHMLQILBPR-UHFFFAOYSA-N
XLogP49.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002205.34
LogP ≤ 549.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene with MolForge

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Related Compounds

chrysene;9,10-dihydrophenanthrene;ethane;3-methylfluoranthene;phenanthrene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene
CID 157296506
anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]
CID 158056839
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-methylfluoranthene;3-methylfluoranthene;7-methylfluoranthene;8-methylfluoranthene;4-methylphenanthrene;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];4'-methyl-9,9'-spirobi[fluorene];3,6,6,14,14-pentamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
CID 157152340
N-(9,9-dimethylfluoren-2-yl)-N-(8-methylidene-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-11,11-diphenylbenzo[a]fluoren-9-amine
CID 167260306
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
9,9-dimethylfluorene;tris(N,N-dimethylmethanamine);9,9-diphenylfluorene;ethane;tetrakis(9,9'-spirobi[fluorene])
CID 161352369
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
2-methyl-9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];2,9,9-trimethylfluorene
CID 158540560
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)-9,10-dihydrophenanthren-3-amine
CID 135229457
9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene
CID 161427401
11,11-diphenyl-4-pyren-1-ylbenzo[a]fluorene
CID 159765639

Frequently Asked Questions

What is the IUPAC name of bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene?
The IUPAC name of bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene (CID 159447619) is bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene.
What is the SMILES notation for bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene?
The canonical SMILES for bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1ccc2c3c(cccc13)-c1ccccc1-2.c1cc2c3c(c1)CCc1cccc(c1-3)CC2.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)CCc1ccccc1-2.
What is the InChIKey of bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene?
The InChIKey is LSYNXHMLQILBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C25H18.C17H12.C16H14.C16H10.C15H14.2C14H12.13C2H6/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;1-3-11-19(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;1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;13*1-2/h1-16H;1-18H;2-10H,1H3;1-6H,7-10H2;1-10H;3-10H,1-2H3;2*1-8H,9-10H2;13*1-2H3.
What are the key properties of bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene?
bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene has a molecular weight of 2205.34 g/mol, XLogP of 49.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene is sourced from PubChem (CID 159447619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).