12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine

C43H32N4 — CID 67472194

IUPAC12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine
SMILESCC1(C)c2ccccc2N(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C43H32N4/c1-43(2)34-23-13-15-25-39(34)47(42-44-36(29-16-6-3-7-17-29)28-37(45-42)30-18-8-4-9-19-30)41-35(43)27-26-33-32-22-12-14-24-38(32)46(40(33)41)31-20-10-5-11-21-31/h3-28H,1-2H3
InChIKeyCTKYOQHGLNGBLK-UHFFFAOYSA-N
MW604.76 g/mol
LogP11.02
Rot. Bonds4

About 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine

12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine (PubChem CID 67472194) has the molecular formula C43H32N4 and a molecular weight of 604.76 g/mol. Its IUPAC name is 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine.

Molecular Properties

Compound Name12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine
PubChem CID67472194
Molecular FormulaC43H32N4
Molecular Weight604.76 g/mol
Exact Mass604.26
IUPAC Name12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine
SMILESCC1(C)c2ccccc2N(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C43H32N4/c1-43(2)34-23-13-15-25-39(34)47(42-44-36(29-16-6-3-7-17-29)28-37(45-42)30-18-8-4-9-19-30)41-35(43)27-26-33-32-22-12-14-24-38(32)46(40(33)41)31-20-10-5-11-21-31/h3-28H,1-2H3
InChIKeyCTKYOQHGLNGBLK-UHFFFAOYSA-N
XLogP11.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.76
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805066
10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315612
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-13,13-dimethyl-3,20-diazaoctacyclo[18.11.1.02,10.04,9.012,32.014,19.021,30.023,28]dotriaconta-1,4,6,8,10,12(32),14,16,18,21,23,25,27,29-tetradecaene
CID 121449525
5-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 71127522
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
CID 138649925
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-2-phenylpyrimidin-4-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 121460910
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine?
The IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine (CID 67472194) is 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine.
What is the SMILES notation for 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine?
The canonical SMILES for 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine is CC1(C)c2ccccc2N(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.
What is the InChIKey of 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine?
The InChIKey is CTKYOQHGLNGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4/c1-43(2)34-23-13-15-25-39(34)47(42-44-36(29-16-6-3-7-17-29)28-37(45-42)30-18-8-4-9-19-30)41-35(43)27-26-33-32-22-12-14-24-38(32)46(40(33)41)31-20-10-5-11-21-31/h3-28H,1-2H3.
What are the key properties of 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine?
12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine has a molecular weight of 604.76 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine is sourced from PubChem (CID 67472194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).