2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine

C135H103N7O2S — CID 157193873

IUPAC2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccncc2)cc1.Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1cccc2c1oc1ccccc12.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[C-]#[N+]c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.[C-]#[N+]c1ccc2c3cc(C)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C27H19N.2C20H14N2.C17H15N.2C13H10O.C13H10S.C12H11N/c1-19-13-15-23-24-16-14-22(28-2)18-26(24)27(25(23)17-19,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-14-8-11-19-18(12-14)17-10-9-15(21-2)13-20(17)22(19)16-6-4-3-5-7-16;1-14-7-9-19-17(11-14)18-12-15(13-21)8-10-20(18)22(19)16-5-3-2-4-6-16;1-11-5-7-13-14-8-6-12(18-4)10-16(14)17(2,3)15(13)9-11;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h3-18H,1H3;3-13H,1H3;2-12H,1H3;5-10H,1-3H3;3*2-8H,1H3;2-9H,1H3
InChIKeyAQAAGOPNNGFSPJ-UHFFFAOYSA-N
MW1887.42 g/mol
LogP37.58
Rot. Bonds5

About 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine

2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine (PubChem CID 157193873) has the molecular formula C135H103N7O2S and a molecular weight of 1887.42 g/mol. Its IUPAC name is 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine
PubChem CID157193873
Molecular FormulaC135H103N7O2S
Molecular Weight1887.42 g/mol
Exact Mass1885.79
IUPAC Name2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccncc2)cc1.Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1cccc2c1oc1ccccc12.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[C-]#[N+]c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.[C-]#[N+]c1ccc2c3cc(C)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C27H19N.2C20H14N2.C17H15N.2C13H10O.C13H10S.C12H11N/c1-19-13-15-23-24-16-14-22(28-2)18-26(24)27(25(23)17-19,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-14-8-11-19-18(12-14)17-10-9-15(21-2)13-20(17)22(19)16-6-4-3-5-7-16;1-14-7-9-19-17(11-14)18-12-15(13-21)8-10-20(18)22(19)16-5-3-2-4-6-16;1-11-5-7-13-14-8-6-12(18-4)10-16(14)17(2,3)15(13)9-11;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h3-18H,1H3;3-13H,1H3;2-12H,1H3;5-10H,1-3H3;3*2-8H,1H3;2-9H,1H3
InChIKeyAQAAGOPNNGFSPJ-UHFFFAOYSA-N
XLogP37.58
TPSA85.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001887.42
LogP ≤ 537.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine?
The IUPAC name of 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine (CID 157193873) is 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine.
What is the SMILES notation for 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine?
The canonical SMILES for 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine is Cc1ccc(-c2ccncc2)cc1.Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1cccc2c1oc1ccccc12.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[C-]#[N+]c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.[C-]#[N+]c1ccc2c3cc(C)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine?
The InChIKey is AQAAGOPNNGFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N.2C20H14N2.C17H15N.2C13H10O.C13H10S.C12H11N/c1-19-13-15-23-24-16-14-22(28-2)18-26(24)27(25(23)17-19,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-14-8-11-19-18(12-14)17-10-9-15(21-2)13-20(17)22(19)16-6-4-3-5-7-16;1-14-7-9-19-17(11-14)18-12-15(13-21)8-10-20(18)22(19)16-5-3-2-4-6-16;1-11-5-7-13-14-8-6-12(18-4)10-16(14)17(2,3)15(13)9-11;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h3-18H,1H3;3-13H,1H3;2-12H,1H3;5-10H,1-3H3;3*2-8H,1H3;2-9H,1H3.
What are the key properties of 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine?
2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine has a molecular weight of 1887.42 g/mol, XLogP of 37.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-7-methyl-9,9-diphenylfluorene;2-isocyano-6-methyl-9-phenylcarbazole;2-isocyano-7,9,9-trimethylfluorene;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;6-methyl-9-phenylcarbazole-3-carbonitrile;4-(4-methylphenyl)pyridine is sourced from PubChem (CID 157193873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).