1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene

C108H92N4S4 — CID 162148469

IUPAC1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene
SMILESCc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2c3ccccc3n(C)c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1c1ccccc1n2C.Cc1cccc2c1sc1ccccc12.Cc1cccc2c3ccccc3n(C)c12.Cc1cccc2sc3ccccc3c12
InChIInChI=1S/4C14H13N.4C13H10S/c1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15(13)2;1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;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/h4*3-9H,1-2H3;4*2-8H,1H3
InChIKeyZKWLPVMBJDREBA-UHFFFAOYSA-N
MW1574.22 g/mol
LogP32.01
Rot. Bonds

About 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene

1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene (PubChem CID 162148469) has the molecular formula C108H92N4S4 and a molecular weight of 1574.22 g/mol. Its IUPAC name is 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene.

Molecular Properties

Compound Name1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene
PubChem CID162148469
Molecular FormulaC108H92N4S4
Molecular Weight1574.22 g/mol
Exact Mass1572.62
IUPAC Name1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene
SMILESCc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2c3ccccc3n(C)c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1c1ccccc1n2C.Cc1cccc2c1sc1ccccc12.Cc1cccc2c3ccccc3n(C)c12.Cc1cccc2sc3ccccc3c12
InChIInChI=1S/4C14H13N.4C13H10S/c1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15(13)2;1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;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/h4*3-9H,1-2H3;4*2-8H,1H3
InChIKeyZKWLPVMBJDREBA-UHFFFAOYSA-N
XLogP32.01
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001574.22
LogP ≤ 532.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene with MolForge

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Related Compounds

1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586
6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 157440445
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 162012575
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
9-methylcarbazole;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole
CID 157064367
1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene
CID 160691046
21-methyl-9-thia-21-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 129296816
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
12-methyl-[1]benzofuro[2,3-a]carbazole;5-methyl-[1]benzofuro[3,2-c]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;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 158959487

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene?
The IUPAC name of 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene (CID 162148469) is 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene.
What is the SMILES notation for 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene?
The canonical SMILES for 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene is Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2c3ccccc3n(C)c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1c1ccccc1n2C.Cc1cccc2c1sc1ccccc12.Cc1cccc2c3ccccc3n(C)c12.Cc1cccc2sc3ccccc3c12.
What is the InChIKey of 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene?
The InChIKey is ZKWLPVMBJDREBA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H13N.4C13H10S/c1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15(13)2;1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;1-10-7-8-12-11-5-3-4-6-13(11)15(2)14(12)9-10;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;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/h4*3-9H,1-2H3;4*2-8H,1H3.
What are the key properties of 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene?
1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene has a molecular weight of 1574.22 g/mol, XLogP of 32.01, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene is sourced from PubChem (CID 162148469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).