2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine

C32H23NS2 — CID 134176005

IUPAC2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine
SMILESCC1(C)c2cc(-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc3c(c21)Sc1ccccc1S3
InChIInChI=1S/C32H23NS2/c1-32(2)25-19-22(20-10-12-21(13-11-20)26-7-5-6-18-33-26)14-15-23(25)24-16-17-29-31(30(24)32)35-28-9-4-3-8-27(28)34-29/h3-19H,1-2H3
InChIKeyZVFGQEDBPLVODR-UHFFFAOYSA-N
MW485.68 g/mol
LogP9.34
Rot. Bonds2

About 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine

2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine (PubChem CID 134176005) has the molecular formula C32H23NS2 and a molecular weight of 485.68 g/mol. Its IUPAC name is 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine
PubChem CID134176005
Molecular FormulaC32H23NS2
Molecular Weight485.68 g/mol
Exact Mass485.13
IUPAC Name2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine
SMILESCC1(C)c2cc(-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc3c(c21)Sc1ccccc1S3
InChIInChI=1S/C32H23NS2/c1-32(2)25-19-22(20-10-12-21(13-11-20)26-7-5-6-18-33-26)14-15-23(25)24-16-17-29-31(30(24)32)35-28-9-4-3-8-27(28)34-29/h3-19H,1-2H3
InChIKeyZVFGQEDBPLVODR-UHFFFAOYSA-N
XLogP9.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 134176006
10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine
CID 134175831
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
3-[3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]-9-phenylcarbazole
CID 134175822
3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 145441726
2-[3-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]pyridine
CID 118472851
15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene
CID 134176079
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472

Frequently Asked Questions

What is the IUPAC name of 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine?
The IUPAC name of 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine (CID 134176005) is 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine?
The canonical SMILES for 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine is CC1(C)c2cc(-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc3c(c21)Sc1ccccc1S3.
What is the InChIKey of 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine?
The InChIKey is ZVFGQEDBPLVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NS2/c1-32(2)25-19-22(20-10-12-21(13-11-20)26-7-5-6-18-33-26)14-15-23(25)24-16-17-29-31(30(24)32)35-28-9-4-3-8-27(28)34-29/h3-19H,1-2H3.
What are the key properties of 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine?
2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine has a molecular weight of 485.68 g/mol, XLogP of 9.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine is sourced from PubChem (CID 134176005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).