2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene

C61H51NOS — CID 161458351

IUPAC2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H15N.C16H16.C13H10O.C13H10S/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-13H,1H3;4-10H,1-3H3;2*2-8H,1H3
InChIKeyWBLRRDRNHQKHAF-UHFFFAOYSA-N
MW846.15 g/mol
LogP17.65
Rot. Bonds1

About 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene

2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene (PubChem CID 161458351) has the molecular formula C61H51NOS and a molecular weight of 846.15 g/mol. Its IUPAC name is 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
PubChem CID161458351
Molecular FormulaC61H51NOS
Molecular Weight846.15 g/mol
Exact Mass845.37
IUPAC Name2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H15N.C16H16.C13H10O.C13H10S/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-13H,1H3;4-10H,1-3H3;2*2-8H,1H3
InChIKeyWBLRRDRNHQKHAF-UHFFFAOYSA-N
XLogP17.65
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.15
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159640666
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 162097761
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159392904
7-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazole;7-(4-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-b]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;7-(9,9-dimethylfluoren-3-yl)-[1]benzofuro[2,3-b]carbazole;7,10-diphenyl-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-10-methyl-[1]benzothiolo[2,3-b]carbazole;7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 161137669
11-dibenzofuran-2-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzofuran-3-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzothiophen-2-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzothiophen-3-yl-[1]benzothiolo[3,2-b]carbazole;11-(9,9-dimethylfluoren-3-yl)-[1]benzothiolo[3,2-b]carbazole
CID 160576509
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159748904
12-(4-carbazol-9-ylphenyl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;12-(4-dibenzofuran-1-ylphenyl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;12-dibenzothiophen-2-yl-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;2-(3,6-dimethylcarbazol-9-yl)-5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole;12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;11-[3-(3-methylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 157097203
2-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3,6-diphenyl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158234145
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
N,N-bis(4-bromophenyl)dibenzofuran-2-amine;N,N-bis(4-bromophenyl)dibenzothiophen-2-amine;N,N-bis(4-bromophenyl)-9,9-dimethylfluoren-2-amine;1-N,4-N-bis(4-bromophenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis(4-bromophenyl)-9-ethylcarbazol-3-amine;N,N-bis(4-bromophenyl)-4-methylaniline;N,N-bis(4-bromophenyl)-4-phenylaniline;N,N-bis(4-bromophenyl)-9-phenylcarbazol-3-amine;1-bromo-4-(4-bromophenyl)benzene;4-bromo-N-(4-bromophenyl)-N-phenylaniline;1,4-dibromobenzene;2,7-dibromo-9,9-dimethylfluorene
CID 161352672
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223

Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene?
The IUPAC name of 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene (CID 161458351) is 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene.
What is the SMILES notation for 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene?
The canonical SMILES for 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene is Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene?
The InChIKey is WBLRRDRNHQKHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C16H16.C13H10O.C13H10S/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-13H,1H3;4-10H,1-3H3;2*2-8H,1H3.
What are the key properties of 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene?
2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene has a molecular weight of 846.15 g/mol, XLogP of 17.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene is sourced from PubChem (CID 161458351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).