acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

C251H389N7O — CID 167568097

IUPACacenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESC1=Cc2cccc3cccc1c23.C1=Cc2ccccc2C1.C1=NCc2ccccc21.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2c3c(cccc3c1)C2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CNC2.c1cc2c3c(cccc3c1)NC2.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1
InChIInChI=1S/C13H10.C12H11N.C12H9N.C12H10.C12H8.C11H9N.C11H8.C10H8.C9H7N.C9H10.C9H8.C8H7N.C8H8O.C7H6N2.C6H6.12C5H12.3C4H10.15C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-3-8-4-2-6-10-11(8)9(5-1)7-12-10;1-3-8-4-2-6-10-7-9(5-1)11(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;12*1-5(2,3)4;3*1-4(2)3;15*1-2/h1-8H,9H2;1-6,13H,7-8H2;1-8,13H;1-6H,7-8H2;1-8H;1-6,12H,7H2;1-6H,7H2;1-8H;1-7H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-5H,6H2;1-4H,5-6H2;1-5H,(H,8,9);1-6H;12*1-4H3;3*4H,1-3H3;15*1-2H3
InChIKeyFNVKQUQQTAGZNH-UHFFFAOYSA-N
MW3520.92 g/mol
LogP81.80
Rot. Bonds

About acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (PubChem CID 167568097) has the molecular formula C251H389N7O and a molecular weight of 3520.92 g/mol. Its IUPAC name is acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.

Molecular Properties

Compound Nameacenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
PubChem CID167568097
Molecular FormulaC251H389N7O
Molecular Weight3520.92 g/mol
Exact Mass3518.06
IUPAC Nameacenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESC1=Cc2cccc3cccc1c23.C1=Cc2ccccc2C1.C1=NCc2ccccc21.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2c3c(cccc3c1)C2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CNC2.c1cc2c3c(cccc3c1)NC2.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1
InChIInChI=1S/C13H10.C12H11N.C12H9N.C12H10.C12H8.C11H9N.C11H8.C10H8.C9H7N.C9H10.C9H8.C8H7N.C8H8O.C7H6N2.C6H6.12C5H12.3C4H10.15C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-3-8-4-2-6-10-11(8)9(5-1)7-12-10;1-3-8-4-2-6-10-7-9(5-1)11(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;12*1-5(2,3)4;3*1-4(2)3;15*1-2/h1-8H,9H2;1-6,13H,7-8H2;1-8,13H;1-6H,7-8H2;1-8H;1-6,12H,7H2;1-6H,7H2;1-8H;1-7H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-5H,6H2;1-4H,5-6H2;1-5H,(H,8,9);1-6H;12*1-4H3;3*4H,1-3H3;15*1-2H3
InChIKeyFNVKQUQQTAGZNH-UHFFFAOYSA-N
XLogP81.80
TPSA103.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms259
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003520.92
LogP ≤ 581.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene with MolForge

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Related Compounds

1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;ethane;1H-indene;1H-isoindole
CID 160744488
1,3-benzodioxole;2,3-dihydro-1-benzofuran;1H-indene;3H-indole;quinoline
CID 159271279
1-tert-butylindole;9H-carbazole;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);octakis(2,2-dimethylpropane);ethane;bis(9H-fluorene);bis(1H-indene);2-methylpropane;4,5,6,7-tetrahydro-1-benzothiophene;5,6,7,8-tetrahydro-3H-thieno[1,2-a]thiopyran
CID 157370708
1H-benzimidazole;3H-1-benzofuran-2-one;3H-1-benzothiophen-2-one;1,3-dihydroinden-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-naphthalen-2-one;3H-indazole;1H-indene;1H-isoindole;decakis(2-methylpropane);2-(trifluoromethyl)-1H-indole
CID 158534067
benzene;bis(1H-benzimidazole);1,3-benzodioxole;1,3-benzothiazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;2,3-bis(ethenyl)naphthalene-1,4-dione;chromen-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;indene-1,3-dione;1H-indole;isoquinoline;naphthalene;quinoline
CID 167548834
3,4-dihydro-2H-chromene;1H-indene
CID 66618736
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 159221292
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
2,3-dihydro-1H-indene;1H-indene;naphthalene
CID 161039487
1H-indene;1H-isoindole
CID 159523195

Frequently Asked Questions

What is the IUPAC name of acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The IUPAC name of acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (CID 167568097) is acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.
What is the SMILES notation for acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The canonical SMILES for acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is C1=Cc2cccc3cccc1c23.C1=Cc2ccccc2C1.C1=NCc2ccccc21.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2c3c(cccc3c1)C2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CNC2.c1cc2c3c(cccc3c1)NC2.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.
What is the InChIKey of acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The InChIKey is FNVKQUQQTAGZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H11N.C12H9N.C12H10.C12H8.C11H9N.C11H8.C10H8.C9H7N.C9H10.C9H8.C8H7N.C8H8O.C7H6N2.C6H6.12C5H12.3C4H10.15C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-3-8-4-2-6-10-11(8)9(5-1)7-12-10;1-3-8-4-2-6-10-7-9(5-1)11(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;12*1-5(2,3)4;3*1-4(2)3;15*1-2/h1-8H,9H2;1-6,13H,7-8H2;1-8,13H;1-6H,7-8H2;1-8H;1-6,12H,7H2;1-6H,7H2;1-8H;1-7H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-5H,6H2;1-4H,5-6H2;1-5H,(H,8,9);1-6H;12*1-4H3;3*4H,1-3H3;15*1-2H3.
What are the key properties of acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene has a molecular weight of 3520.92 g/mol, XLogP of 81.80, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene;benzene;1H-benzimidazole;9H-carbazole;1,2-dihydroacenaphthylene;1,2-dihydrobenzo[cd]indole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;dodecakis(2,2-dimethylpropane);ethane;9H-fluorene;1H-indene;1H-isoindole;tris(2-methylpropane);naphthalene;quinoline;tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is sourced from PubChem (CID 167568097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).