2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene

C154H123NO3 — CID 161362535

IUPAC2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C26H18.C19H15N.2C19H14.2C16H16.3C13H10O/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-16H,1H3;2-13H,1H3;2*2-12H,1H3;2*4-10H,1-3H3;3*2-8H,1H3
InChIKeyVPJILOYHTNMGFM-UHFFFAOYSA-N
MW2035.68 g/mol
LogP42.63
Rot. Bonds1

About 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene

2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene (PubChem CID 161362535) has the molecular formula C154H123NO3 and a molecular weight of 2035.68 g/mol. Its IUPAC name is 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
PubChem CID161362535
Molecular FormulaC154H123NO3
Molecular Weight2035.68 g/mol
Exact Mass2033.95
IUPAC Name2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C26H18.C19H15N.2C19H14.2C16H16.3C13H10O/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-16H,1H3;2-13H,1H3;2*2-12H,1H3;2*4-10H,1-3H3;3*2-8H,1H3
InChIKeyVPJILOYHTNMGFM-UHFFFAOYSA-N
XLogP42.63
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.68
LogP ≤ 542.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene with MolForge

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Related Compounds

2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9-phenylcarbazole;3,6-dimethyl-9-phenylcarbazole;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 159765295
2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
CID 161458351
5-[6,9-bis(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5,5'-di(dibenzofuran-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole];5-[9-(2,4-dimethylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]indeno[2,1-b]carbazole;5-phenyl-5'-(9-phenylcarbazol-3-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 159694295
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
2-[5-(9,9-dimethylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[7,7-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(9,9-diphenylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159407034
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
2-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;3-methyl-5,11-diphenylindolo[3,2-b]carbazole;2-methyl-9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];4'-methyl-9,9'-spirobi[fluorene]
CID 157438705
1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160789918
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
CID 160937920

Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The IUPAC name of 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene (CID 161362535) is 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene.
What is the SMILES notation for 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The canonical SMILES for 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene is Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The InChIKey is VPJILOYHTNMGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C19H15N.2C19H14.2C16H16.3C13H10O/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-16H,1H3;2-13H,1H3;2*2-12H,1H3;2*4-10H,1-3H3;3*2-8H,1H3.
What are the key properties of 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene has a molecular weight of 2035.68 g/mol, XLogP of 42.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;2-methyl-9-phenylcarbazole;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene is sourced from PubChem (CID 161362535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).