9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole

C103H81N3O2S2 — CID 162012575

IUPAC9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/2C19H15N.C13H11N.2C13H10O.2C13H10S/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;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;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2*2-13H,1H3;2-9H,1H3;4*2-8H,1H3
InChIKeyYTRBGUXPVICHDW-UHFFFAOYSA-N
MW1456.93 g/mol
LogP30.03
Rot. Bonds2

About 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole

9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole (PubChem CID 162012575) has the molecular formula C103H81N3O2S2 and a molecular weight of 1456.93 g/mol. Its IUPAC name is 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
PubChem CID162012575
Molecular FormulaC103H81N3O2S2
Molecular Weight1456.93 g/mol
Exact Mass1455.58
IUPAC Name9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/2C19H15N.C13H11N.2C13H10O.2C13H10S/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;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;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2*2-13H,1H3;2-9H,1H3;4*2-8H,1H3
InChIKeyYTRBGUXPVICHDW-UHFFFAOYSA-N
XLogP30.03
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001456.93
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;1,2,4,5-tetramethylbenzene;N,N,4-trimethylaniline;1,3,5-trimethylbenzene;2,5,7-trimethylindolo[2,3-b]carbazole;1,3-xylene;1,4-xylene
CID 157058591
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 167592559
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 158354854
11-dibenzofuran-2-yl-5-methylindolo[3,2-b]carbazole;11-dibenzothiophen-2-yl-5-methylindolo[3,2-b]carbazole;5-methyl-11-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazole;5-methyl-11-pyridin-4-ylindolo[3,2-b]carbazole
CID 162098445
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
7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162120697
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
CID 161458351
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698

Frequently Asked Questions

What is the IUPAC name of 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole?
The IUPAC name of 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole (CID 162012575) is 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole.
What is the SMILES notation for 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole?
The canonical SMILES for 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole?
The InChIKey is YTRBGUXPVICHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15N.C13H11N.2C13H10O.2C13H10S/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;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;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2*2-13H,1H3;2-9H,1H3;4*2-8H,1H3.
What are the key properties of 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole?
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole has a molecular weight of 1456.93 g/mol, XLogP of 30.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole is sourced from PubChem (CID 162012575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).