6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole

C26H20N4 — CID 123231363

IUPAC6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2ccn1-c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C26H20N4/c1-26(2)21-6-4-3-5-19(21)24-20-11-14-30(23(20)8-7-22(24)26)18-15-28-25(29-16-18)17-9-12-27-13-10-17/h3-16H,1-2H3
InChIKeyRYYLGHGSELAIKP-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.79
Rot. Bonds2

About 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole

6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole (PubChem CID 123231363) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole
PubChem CID123231363
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2ccn1-c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C26H20N4/c1-26(2)21-6-4-3-5-19(21)24-20-11-14-30(23(20)8-7-22(24)26)18-15-28-25(29-16-18)17-9-12-27-13-10-17/h3-16H,1-2H3
InChIKeyRYYLGHGSELAIKP-UHFFFAOYSA-N
XLogP5.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-3-(6-phenyl-1,2-dihydropyridin-2-yl)indeno[1,2-e]indole;6,6-dimethyl-3-(4-phenyl-2-pyridinyl)indeno[1,2-e]indole;6,6-dimethyl-3-(5-phenyl-2-pyridinyl)indeno[1,2-e]indole;6,6-dimethyl-3-(6-phenyl-3-pyridinyl)indeno[1,2-e]indole;6,6-dimethyl-3-(6-pyridin-4-yl-1,2-dihydropyridin-2-yl)indeno[1,2-e]indole;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,6-dimethylindeno[1,2-e]indole
CID 160626535
10,10,15,15-tetramethyl-25-pyridin-4-yl-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene
CID 118301325
14,14-dimethyl-9-pyrimidin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502300
5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 135298303
3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole
CID 90130569
6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole
CID 123952268
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-9,9-dimethyl-15-azapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645233
2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146632427
18-[3-[4-[2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)pyrimidin-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-isoquinolin-6-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 155257375
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122464806
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164803015
33,33-dimethyl-11-(2-pyridin-4-ylpyrimidin-5-yl)-22-oxa-1,11,15-triazadecacyclo[26.11.1.115,23.02,14.04,12.05,10.016,21.032,40.034,39.027,41]hentetraconta-2(14),3,5,7,9,12,16,18,20,23,25,27(41),28(40),29,31,34,36,38-octadecaene
CID 118186545

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole?
The IUPAC name of 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole (CID 123231363) is 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole.
What is the SMILES notation for 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole?
The canonical SMILES for 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole is CC1(C)c2ccccc2-c2c1ccc1c2ccn1-c1cnc(-c2ccncc2)nc1.
What is the InChIKey of 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole?
The InChIKey is RYYLGHGSELAIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-26(2)21-6-4-3-5-19(21)24-20-11-14-30(23(20)8-7-22(24)26)18-15-28-25(29-16-18)17-9-12-27-13-10-17/h3-16H,1-2H3.
What are the key properties of 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole?
6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole has a molecular weight of 388.47 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(2-pyridin-4-ylpyrimidin-5-yl)indeno[1,2-e]indole is sourced from PubChem (CID 123231363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).