2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene

C218H164OS — CID 161470494

IUPAC2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene
SMILESCc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/4C26H20.2C25H18.2C19H14.C13H10O.C13H10S/c1-19-11-10-17-23-22-16-8-9-18-24(22)26(25(19)23,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-11-10-18-24-25(19)22-16-8-9-17-23(22)26(24,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;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;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h4*2-18H,1H3;2*2-16H,1H3;2*2-12H,1H3;2*2-8H,1H3
InChIKeyWDAATJDTMIAXAK-UHFFFAOYSA-N
MW2831.78 g/mol
LogP58.84
Rot. Bonds10

About 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene

2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene (PubChem CID 161470494) has the molecular formula C218H164OS and a molecular weight of 2831.78 g/mol. Its IUPAC name is 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene.

Molecular Properties

Compound Name2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene
PubChem CID161470494
Molecular FormulaC218H164OS
Molecular Weight2831.78 g/mol
Exact Mass2829.25
IUPAC Name2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene
SMILESCc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/4C26H20.2C25H18.2C19H14.C13H10O.C13H10S/c1-19-11-10-17-23-22-16-8-9-18-24(22)26(25(19)23,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-11-10-18-24-25(19)22-16-8-9-17-23(22)26(24,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;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;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h4*2-18H,1H3;2*2-16H,1H3;2*2-12H,1H3;2*2-8H,1H3
InChIKeyWDAATJDTMIAXAK-UHFFFAOYSA-N
XLogP58.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms220
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002831.78
LogP ≤ 558.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene with MolForge

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Related Compounds

2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9,9-diphenylfluorene;1-methyl-2-phenylbenzene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 159801697
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)dibenzofuran-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-methylphenyl)-9,9-diphenylfluoren-2-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167549806
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
CID 160753987
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N,N-bis(2-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 160626723
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 158548002
1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938931

Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene?
The IUPAC name of 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene (CID 161470494) is 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene.
What is the SMILES notation for 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene?
The canonical SMILES for 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene is Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene?
The InChIKey is WDAATJDTMIAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H20.2C25H18.2C19H14.C13H10O.C13H10S/c1-19-11-10-17-23-22-16-8-9-18-24(22)26(25(19)23,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-11-10-18-24-25(19)22-16-8-9-17-23(22)26(24,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;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;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h4*2-18H,1H3;2*2-16H,1H3;2*2-12H,1H3;2*2-8H,1H3.
What are the key properties of 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene?
2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene has a molecular weight of 2831.78 g/mol, XLogP of 58.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene is sourced from PubChem (CID 161470494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).