12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole

C25H19N3 — CID 118502203

IUPAC12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ncccn4)c3c21
InChIInChI=1S/C25H19N3/c1-25(2)20-10-5-3-8-16(20)18-12-13-19-17-9-4-6-11-21(17)28(23(19)22(18)25)24-26-14-7-15-27-24/h3-15H,1-2H3
InChIKeyPMOSIZHZMACBPZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.88
Rot. Bonds1

About 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole

12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole (PubChem CID 118502203) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
PubChem CID118502203
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ncccn4)c3c21
InChIInChI=1S/C25H19N3/c1-25(2)20-10-5-3-8-16(20)18-12-13-19-17-9-4-6-11-21(17)28(23(19)22(18)25)24-26-14-7-15-27-24/h3-15H,1-2H3
InChIKeyPMOSIZHZMACBPZ-UHFFFAOYSA-N
XLogP5.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
CID 121298587
23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545787
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 118580626
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464216
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-6-isocyano-1,3,5-triazine-2-carbonitrile
CID 87412129
4,5,6-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 146325148
20,20-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 89211852
2-carbazol-9-yl-5-[2,5-dicyano-4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzene-1,4-dicarbonitrile
CID 129290887

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole (CID 118502203) is 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ncccn4)c3c21.
What is the InChIKey of 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole?
The InChIKey is PMOSIZHZMACBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-25(2)20-10-5-3-8-16(20)18-12-13-19-17-9-4-6-11-21(17)28(23(19)22(18)25)24-26-14-7-15-27-24/h3-15H,1-2H3.
What are the key properties of 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole?
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole has a molecular weight of 361.45 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole is sourced from PubChem (CID 118502203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).