5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole

C104H64N8O2 — CID 157316806

IUPAC5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/2C52H32N4O/c1-3-15-33(16-4-1)34-17-13-18-35(31-34)43-32-44(41-25-14-24-40-38-22-9-12-28-48(38)57-51(40)41)54-52(53-43)56-46-27-11-8-23-42(46)49-47(56)30-29-39-37-21-7-10-26-45(37)55(50(39)49)36-19-5-2-6-20-36;1-3-13-33(14-4-1)34-23-25-35(26-24-34)43-32-44(36-27-28-40-39-18-9-12-22-48(39)57-49(40)31-36)54-52(53-43)56-46-21-11-8-19-42(46)50-47(56)30-29-41-38-17-7-10-20-45(38)55(51(41)50)37-15-5-2-6-16-37/h2*1-32H
InChIKeyBDRPBZWZXNYLSH-UHFFFAOYSA-N
MW1457.71 g/mol
LogP27.14
Rot. Bonds10

About 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole

5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 157316806) has the molecular formula C104H64N8O2 and a molecular weight of 1457.71 g/mol. Its IUPAC name is 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole
PubChem CID157316806
Molecular FormulaC104H64N8O2
Molecular Weight1457.71 g/mol
Exact Mass1456.52
IUPAC Name5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/2C52H32N4O/c1-3-15-33(16-4-1)34-17-13-18-35(31-34)43-32-44(41-25-14-24-40-38-22-9-12-28-48(38)57-51(40)41)54-52(53-43)56-46-27-11-8-23-42(46)49-47(56)30-29-39-37-21-7-10-26-45(37)55(50(39)49)36-19-5-2-6-20-36;1-3-13-33(14-4-1)34-23-25-35(26-24-34)43-32-44(36-27-28-40-39-18-9-12-22-48(39)57-49(40)31-36)54-52(53-43)56-46-21-11-8-19-42(46)50-47(56)30-29-41-38-17-7-10-20-45(38)55(51(41)50)37-15-5-2-6-16-37/h2*1-32H
InChIKeyBDRPBZWZXNYLSH-UHFFFAOYSA-N
XLogP27.14
TPSA97.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.71
LogP ≤ 527.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158667209
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 118154104
11-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158593172
12-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168896
11-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]carbazole;1-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-9-phenylcarbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 161401255
12-phenyl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indolo[3,2-c]carbazole
CID 134169035
1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane
CID 161229807
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158564648
11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 118595440
5-phenyl-12-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169014966
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 135166141
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439

Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole (CID 157316806) is 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.
What is the InChIKey of 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is BDRPBZWZXNYLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N4O/c1-3-15-33(16-4-1)34-17-13-18-35(31-34)43-32-44(41-25-14-24-40-38-22-9-12-28-48(38)57-51(40)41)54-52(53-43)56-46-27-11-8-23-42(46)49-47(56)30-29-39-37-21-7-10-26-45(37)55(50(39)49)36-19-5-2-6-20-36;1-3-13-33(14-4-1)34-23-25-35(26-24-34)43-32-44(36-27-28-40-39-18-9-12-22-48(39)57-49(40)31-36)54-52(53-43)56-46-21-11-8-19-42(46)50-47(56)30-29-41-38-17-7-10-20-45(38)55(51(41)50)37-15-5-2-6-16-37/h2*1-32H.
What are the key properties of 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole?
5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1457.71 g/mol, XLogP of 27.14, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 157316806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).