1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene

C249H268N8 — CID 161395072

IUPAC1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cc2ccccc2c2ccccc12.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccncc1
InChIInChI=1S/3C18H14.2C17H13N.C15H14.C15H12.C14H10.C12H10.4C11H9N.C10H8.C9H7N.C7H8.C5H5N.15C2H6/c2*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;15*1-2/h3*1-14H;2*1-13H;3-10H,1-2H3;2-10H,1H3;1-10H;1-10H;4*1-9H;1-8H;1-7H;2-6H,1H3;1-5H;15*1-2H3
InChIKeyVTMLVNXFRAWDLA-UHFFFAOYSA-N
MW3372.94 g/mol
LogP74.07
Rot. Bonds15

About 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene

1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene (PubChem CID 161395072) has the molecular formula C249H268N8 and a molecular weight of 3372.94 g/mol. Its IUPAC name is 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene.

Molecular Properties

Compound Name1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene
PubChem CID161395072
Molecular FormulaC249H268N8
Molecular Weight3372.94 g/mol
Exact Mass3370.12
IUPAC Name1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cc2ccccc2c2ccccc12.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccncc1
InChIInChI=1S/3C18H14.2C17H13N.C15H14.C15H12.C14H10.C12H10.4C11H9N.C10H8.C9H7N.C7H8.C5H5N.15C2H6/c2*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;15*1-2/h3*1-14H;2*1-13H;3-10H,1-2H3;2-10H,1H3;1-10H;1-10H;4*1-9H;1-8H;1-7H;2-6H,1H3;1-5H;15*1-2H3
InChIKeyVTMLVNXFRAWDLA-UHFFFAOYSA-N
XLogP74.07
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms257
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003372.94
LogP ≤ 574.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene with MolForge

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Related Compounds

2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
CID 158618516
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]indeno[1,2-b]quinoline;10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 159082297
benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene
CID 160597884
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline
CID 159856241
6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-2-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-3-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-4-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline
CID 158420583
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
9-(9,9-dimethylfluoren-2-yl)-10-phenanthren-9-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;3-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 160829981
benzene;1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;ethane;9H-fluorene;9-methylcarbazole;2-methyl-4,6-diphenyl-1,3,5-triazine;9-phenylcarbazole;2-phenylpyridine;3-phenylpyridine;pyridine;9,9'-spirobi[fluorene];triphenylene
CID 160773344
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-6,7-bis(4-phenylphenyl)-3-(4-pyridin-2-ylphenyl)quinoxaline
CID 159175615
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]quinoline;2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(3,5-dipyridin-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 159131062
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene?
The IUPAC name of 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene (CID 161395072) is 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene.
What is the SMILES notation for 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene?
The canonical SMILES for 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cc2ccccc2c2ccccc12.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccncc1.
What is the InChIKey of 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene?
The InChIKey is VTMLVNXFRAWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H14.2C17H13N.C15H14.C15H12.C14H10.C12H10.4C11H9N.C10H8.C9H7N.C7H8.C5H5N.15C2H6/c2*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;15*1-2/h3*1-14H;2*1-13H;3-10H,1-2H3;2-10H,1H3;1-10H;1-10H;4*1-9H;1-8H;1-7H;2-6H,1H3;1-5H;15*1-2H3.
What are the key properties of 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene?
1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene has a molecular weight of 3372.94 g/mol, XLogP of 74.07, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene is sourced from PubChem (CID 161395072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).