4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole

C140H87N7O3S2 — CID 162033114

IUPAC4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)ccc3c2)cc1
InChIInChI=1S/C52H33N3O.C46H28N2OS.C42H26N2OS/c1-2-12-34(13-3-1)37-26-27-39-31-40(29-28-38(39)30-37)46-33-45(35-22-24-36(25-23-35)51-32-41-14-4-11-21-50(41)56-51)53-52(54-46)44-17-7-10-20-49(44)55-47-18-8-5-15-42(47)43-16-6-9-19-48(43)55;1-2-8-29(9-3-1)32-18-19-34-25-35(21-20-33(34)24-32)41-28-40(30-14-16-31(17-15-30)43-26-36-10-4-6-12-42(36)49-43)47-46(48-41)37-22-23-39-38-11-5-7-13-44(38)50-45(39)27-37;1-2-9-27(10-3-1)28-17-19-29(20-18-28)36-26-37(30-21-23-31(24-22-30)39-25-32-11-4-6-15-38(32)45-39)44-42(43-36)35-14-8-13-34-33-12-5-7-16-40(33)46-41(34)35/h1-33H;1-28H;1-26H
InChIKeyYWHGZHJKRGDLIQ-UHFFFAOYSA-N
MW1979.42 g/mol
LogP38.81
Rot. Bonds16

About 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole

4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole (PubChem CID 162033114) has the molecular formula C140H87N7O3S2 and a molecular weight of 1979.42 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole
PubChem CID162033114
Molecular FormulaC140H87N7O3S2
Molecular Weight1979.42 g/mol
Exact Mass1977.63
IUPAC Name4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)ccc3c2)cc1
InChIInChI=1S/C52H33N3O.C46H28N2OS.C42H26N2OS/c1-2-12-34(13-3-1)37-26-27-39-31-40(29-28-38(39)30-37)46-33-45(35-22-24-36(25-23-35)51-32-41-14-4-11-21-50(41)56-51)53-52(54-46)44-17-7-10-20-49(44)55-47-18-8-5-15-42(47)43-16-6-9-19-48(43)55;1-2-8-29(9-3-1)32-18-19-34-25-35(21-20-33(34)24-32)41-28-40(30-14-16-31(17-15-30)43-26-36-10-4-6-12-42(36)49-43)47-46(48-41)37-22-23-39-38-11-5-7-13-44(38)50-45(39)27-37;1-2-9-27(10-3-1)28-17-19-29(20-18-28)36-26-37(30-21-23-31(24-22-30)39-25-32-11-4-6-15-38(32)45-39)44-42(43-36)35-14-8-13-34-33-12-5-7-16-40(33)46-41(34)35/h1-33H;1-28H;1-26H
InChIKeyYWHGZHJKRGDLIQ-UHFFFAOYSA-N
XLogP38.81
TPSA121.69 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.42
LogP ≤ 538.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 146183170
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 158471795
9-[2-(4-dibenzofuran-1-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534463
12-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 164953755
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 172500329
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 146183218
2-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-dibenzofuran-3-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164947961
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
CID 169011347
9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146183194

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole (CID 162033114) is 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)ccc3c2)cc1.
What is the InChIKey of 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is YWHGZHJKRGDLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O.C46H28N2OS.C42H26N2OS/c1-2-12-34(13-3-1)37-26-27-39-31-40(29-28-38(39)30-37)46-33-45(35-22-24-36(25-23-35)51-32-41-14-4-11-21-50(41)56-51)53-52(54-46)44-17-7-10-20-49(44)55-47-18-8-5-15-42(47)43-16-6-9-19-48(43)55;1-2-8-29(9-3-1)32-18-19-34-25-35(21-20-33(34)24-32)41-28-40(30-14-16-31(17-15-30)43-26-36-10-4-6-12-42(36)49-43)47-46(48-41)37-22-23-39-38-11-5-7-13-44(38)50-45(39)27-37;1-2-9-27(10-3-1)28-17-19-29(20-18-28)36-26-37(30-21-23-31(24-22-30)39-25-32-11-4-6-15-38(32)45-39)44-42(43-36)35-14-8-13-34-33-12-5-7-16-40(33)46-41(34)35/h1-33H;1-28H;1-26H.
What are the key properties of 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole?
4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 1979.42 g/mol, XLogP of 38.81, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzofuran-2-yl)phenyl]-2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidine;9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 162033114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).