1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene

C129H116N4 — CID 165012319

IUPAC1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
SMILESCC.CC.Cc1cc(C)c2ccccc2c1.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1cccc2c1-c1ccccc1C2.Cn1c2ccccc2c2c3c(ccc21)Cc1ccccc1-3.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H15N.2C14H12.3C13H11N.2C13H10.C12H12.2C2H6/c1-21-17-9-5-4-8-16(17)20-18(21)11-10-14-12-13-6-2-3-7-15(13)19(14)20;1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;3*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-7-10(2)12-6-4-3-5-11(12)8-9;2*1-2/h2-11H,12H2,1H3;2*2-8H,9H2,1H3;3*2-9H,1H3;2*1-8H,9H2;3-8H,1-2H3;2*1-2H3
InChIKeyJWVFAFXXSCOQBL-UHFFFAOYSA-N
MW1722.37 g/mol
LogP34.05
Rot. Bonds

About 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene

1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene (PubChem CID 165012319) has the molecular formula C129H116N4 and a molecular weight of 1722.37 g/mol. Its IUPAC name is 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene.

Molecular Properties

Compound Name1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
PubChem CID165012319
Molecular FormulaC129H116N4
Molecular Weight1722.37 g/mol
Exact Mass1720.92
IUPAC Name1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
SMILESCC.CC.Cc1cc(C)c2ccccc2c1.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1cccc2c1-c1ccccc1C2.Cn1c2ccccc2c2c3c(ccc21)Cc1ccccc1-3.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H15N.2C14H12.3C13H11N.2C13H10.C12H12.2C2H6/c1-21-17-9-5-4-8-16(17)20-18(21)11-10-14-12-13-6-2-3-7-15(13)19(14)20;1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;3*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-7-10(2)12-6-4-3-5-11(12)8-9;2*1-2/h2-11H,12H2,1H3;2*2-8H,9H2,1H3;3*2-9H,1H3;2*1-8H,9H2;3-8H,1-2H3;2*1-2H3
InChIKeyJWVFAFXXSCOQBL-UHFFFAOYSA-N
XLogP34.05
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001722.37
LogP ≤ 534.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene with MolForge

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Related Compounds

9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-methyl-10,12-dihydroindeno[2,1-b]fluorene;4-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160764659
8-methyl-7,12-dihydroindeno[1,2-a]fluorene;9-methyl-7,12-dihydroindeno[1,2-a]fluorene;10-methyl-7,12-dihydroindeno[1,2-a]fluorene;4-methyl-6,12-dihydroindeno[1,2-b]fluorene;5-methyl-12H-indeno[1,2-c]carbazole
CID 161385300
ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole
CID 158023660
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
11H-benzo[a]fluorene;ethane;3-methyl-11H-benzo[a]fluorene;2-methyl-11H-benzo[b]fluorene;8-methyl-11H-benzo[b]fluorene;5-methyl-7H-benzo[c]fluorene;19-methylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 157095898
8-methyl-7H-benzo[c]fluorene;9-methyl-7H-benzo[c]fluorene;10-methyl-7H-benzo[c]fluorene;1-methyl-9H-fluorene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;toluene
CID 160899257
3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole
CID 158159121
5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 158732726
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122463997
1,3-dimethylnaphthalene;ethane
CID 145447624
9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122434437
7-azaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3,5,8,10,12,15,19,21(29),22,24,26,30-tetradecaene
CID 157186918

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene?
The IUPAC name of 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene (CID 165012319) is 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene.
What is the SMILES notation for 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene?
The canonical SMILES for 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene is CC.CC.Cc1cc(C)c2ccccc2c1.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1cccc2c1-c1ccccc1C2.Cn1c2ccccc2c2c3c(ccc21)Cc1ccccc1-3.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene?
The InChIKey is JWVFAFXXSCOQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N.2C14H12.3C13H11N.2C13H10.C12H12.2C2H6/c1-21-17-9-5-4-8-16(17)20-18(21)11-10-14-12-13-6-2-3-7-15(13)19(14)20;1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;3*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-7-10(2)12-6-4-3-5-11(12)8-9;2*1-2/h2-11H,12H2,1H3;2*2-8H,9H2,1H3;3*2-9H,1H3;2*1-8H,9H2;3-8H,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene?
1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene has a molecular weight of 1722.37 g/mol, XLogP of 34.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene is sourced from PubChem (CID 165012319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).