3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine

C91H122N8O2S2 — CID 159886325

IUPAC3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine

SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1cn2ccccc2n1.Cc1cn2cccnc2n1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1

InChIInChI=1S/C14H13N.C13H10O.C13H10S.C8H8N2.C8H7NO.C8H7NS.C7H7N3.10C2H6/c1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;2*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-7-6-10-5-3-2-4-8(10)9-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-5-10-4-2-3-8-7(10)9-6;10*1-2/h3-9H,1-2H3;2*2-8H,1H3;2-6H,1H3;3*2-5H,1H3;10*1-2H3

InChIKeyNUEKPQLFKROGNY-UHFFFAOYSA-N

MW1424.16 g/mol

LogP29.58

Rot. Bonds

About 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine

3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine (PubChem CID 159886325) has the molecular formula C91H122N8O2S2 and a molecular weight of 1424.16 g/mol. Its IUPAC name is 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name	3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine
PubChem CID	159886325
Molecular Formula	C91H122N8O2S2
Molecular Weight	1424.16 g/mol
Exact Mass	1422.91
IUPAC Name	3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine
SMILES	CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1cn2ccccc2n1.Cc1cn2cccnc2n1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1
InChI	InChI=1S/C14H13N.C13H10O.C13H10S.C8H8N2.C8H7NO.C8H7NS.C7H7N3.10C2H6/c1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;21-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-7-6-10-5-3-2-4-8(10)9-7;21-6-9-7-4-2-3-5-8(7)10-6;1-6-5-10-4-2-3-8-7(10)9-6;101-2/h3-9H,1-2H3;22-8H,1H3;2-6H,1H3;32-5H,1H3;101-2H3
InChIKey	NUEKPQLFKROGNY-UHFFFAOYSA-N
XLogP	29.58
TPSA	104.48 Å²
H-Bond Donors
H-Bond Acceptors	12
Rotatable Bonds
Heavy Atoms	103
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1424.16
LogP ≤ 5	29.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine?

The IUPAC name of 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine (CID 159886325) is 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine.

What is the SMILES notation for 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine?

The canonical SMILES for 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)c1ccccc1n2C.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1cn2ccccc2n1.Cc1cn2cccnc2n1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.

What is the InChIKey of 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine?

The InChIKey is NUEKPQLFKROGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C13H10O.C13H10S.C8H8N2.C8H7NO.C8H7NS.C7H7N3.10C2H6/c1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2;2*1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-7-6-10-5-3-2-4-8(10)9-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-5-10-4-2-3-8-7(10)9-6;10*1-2/h3-9H,1-2H3;2*2-8H,1H3;2-6H,1H3;3*2-5H,1H3;10*1-2H3.

What are the key properties of 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine?

3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine has a molecular weight of 1424.16 g/mol, XLogP of 29.58, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,9-dimethylcarbazole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyldibenzofuran;3-methyldibenzothiophene;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 159886325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).