benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene

C175H170N8 — CID 160597884

IUPACbenzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1ccccc1.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1cccnc12.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C21H16.2C16H10.C15H14.C14H10.2C13H9N.2C12H8N2.2C9H7N.C7H8.9C2H6/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;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;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;9*1-2/h2-14H,1H3;2*1-10H;3-10H,1-2H3;1-10H;2*1-9H;2*1-8H;2*1-7H;2-6H,1H3;9*1-2H3
InChIKeyRDWNIMVYCILTNF-UHFFFAOYSA-N
MW2385.34 g/mol
LogP51.16
Rot. Bonds1

About benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene

benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene (PubChem CID 160597884) has the molecular formula C175H170N8 and a molecular weight of 2385.34 g/mol. Its IUPAC name is benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene.

Molecular Properties

Compound Namebenzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene
PubChem CID160597884
Molecular FormulaC175H170N8
Molecular Weight2385.34 g/mol
Exact Mass2383.35
IUPAC Namebenzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1ccccc1.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1cccnc12.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C21H16.2C16H10.C15H14.C14H10.2C13H9N.2C12H8N2.2C9H7N.C7H8.9C2H6/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;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;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;9*1-2/h2-14H,1H3;2*1-10H;3-10H,1-2H3;1-10H;2*1-9H;2*1-8H;2*1-7H;2-6H,1H3;9*1-2H3
InChIKeyRDWNIMVYCILTNF-UHFFFAOYSA-N
XLogP51.16
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002385.34
LogP ≤ 551.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethylfluorene;ethane;quinoline
CID 159714824
9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342054
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
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
CID 146301055
5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
CID 59183207
8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline
CID 155765153
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
anthracene;benzene;1,1'-biphenyl;chrysene;9,9-dimethylfluorene;(2,2-dimethylpropane);1,4-diphenylbenzene;methane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene
CID 159148400
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]pyridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]quinoline
CID 159960138
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis(4-phenylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;1-(10-phenylanthracen-9-yl)pyrene;2-(10-phenylanthracen-9-yl)triphenylene;9-phenyl-10-(4-phenylphenyl)anthracene
CID 164965575

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene?
The IUPAC name of benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene (CID 160597884) is benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene.
What is the SMILES notation for benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene?
The canonical SMILES for benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1ccccc1.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1cccnc12.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene?
The InChIKey is RDWNIMVYCILTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16.2C16H10.C15H14.C14H10.2C13H9N.2C12H8N2.2C9H7N.C7H8.9C2H6/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;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;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;9*1-2/h2-14H,1H3;2*1-10H;3-10H,1-2H3;1-10H;2*1-9H;2*1-8H;2*1-7H;2-6H,1H3;9*1-2H3.
What are the key properties of benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene?
benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene has a molecular weight of 2385.34 g/mol, XLogP of 51.16, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinoline;9,9-dimethylfluorene;ethane;9-methyl-10-phenylanthracene;phenanthrene;bis(1,10-phenanthroline);pyrene;quinoline;toluene is sourced from PubChem (CID 160597884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).