12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole

C46H32N4 — CID 170205976

IUPAC12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c4c23)CC1
InChIInChI=1S/C46H32N4/c1-4-15-31(16-5-1)39-30-40(32-17-6-2-7-18-32)48-46(47-39)33-19-14-22-35(29-33)50-41-25-12-10-23-36(41)37-27-28-43-44(45(37)50)38-24-11-13-26-42(38)49(43)34-20-8-3-9-21-34/h1-12,14-25,27-30H,13,26H2
InChIKeyBXGISAGGPRVKSA-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.48
Rot. Bonds5

About 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole

12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole (PubChem CID 170205976) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
PubChem CID170205976
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c4c23)CC1
InChIInChI=1S/C46H32N4/c1-4-15-31(16-5-1)39-30-40(32-17-6-2-7-18-32)48-46(47-39)33-19-14-22-35(29-33)50-41-25-12-10-23-36(41)37-27-28-43-44(45(37)50)38-24-11-13-26-42(38)49(43)34-20-8-3-9-21-34/h1-12,14-25,27-30H,13,26H2
InChIKeyBXGISAGGPRVKSA-UHFFFAOYSA-N
XLogP11.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 144696794
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463026
5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240808
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene
CID 158500793
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole?
The IUPAC name of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole (CID 170205976) is 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole?
The canonical SMILES for 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole is C1=Cc2c(n(-c3ccccc3)c3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c4c23)CC1.
What is the InChIKey of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole?
The InChIKey is BXGISAGGPRVKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-4-15-31(16-5-1)39-30-40(32-17-6-2-7-18-32)48-46(47-39)33-19-14-22-35(29-33)50-41-25-12-10-23-36(41)37-27-28-43-44(45(37)50)38-24-11-13-26-42(38)49(43)34-20-8-3-9-21-34/h1-12,14-25,27-30H,13,26H2.
What are the key properties of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole?
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole is sourced from PubChem (CID 170205976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).