4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine

C137H87N7OS3 — CID 157250143

IUPAC4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccccc5-c5ccccc5)n4)ccc3c2)cc1
InChIInChI=1S/C46H28N2OS.C46H30N2S.C45H29N3S/c1-2-8-29(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)45-27-36-10-4-7-13-44(36)50-45)47-46(48-41)37-22-23-39-38-11-5-6-12-42(38)49-43(39)26-37;1-3-11-31(12-4-1)35-23-24-37-28-38(26-25-36(37)27-35)43-30-42(33-19-21-34(22-20-33)45-29-39-15-7-10-18-44(39)49-45)47-46(48-43)41-17-9-8-16-40(41)32-13-5-2-6-14-32;1-2-7-30(8-3-1)35-20-21-37-26-38(23-22-36(37)25-35)42-28-41(32-14-16-33(17-15-32)44-27-39-9-4-5-11-43(39)49-44)47-45(48-42)34-18-12-31(13-19-34)40-10-6-24-46-29-40/h1-28H;1-30H;1-29H
InChIKeyAWFYRDIBCMJTGB-UHFFFAOYSA-N
MW1943.45 g/mol
LogP38.17
Rot. Bonds17

About 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine

4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157250143) has the molecular formula C137H87N7OS3 and a molecular weight of 1943.45 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID157250143
Molecular FormulaC137H87N7OS3
Molecular Weight1943.45 g/mol
Exact Mass1941.61
IUPAC Name4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccccc5-c5ccccc5)n4)ccc3c2)cc1
InChIInChI=1S/C46H28N2OS.C46H30N2S.C45H29N3S/c1-2-8-29(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)45-27-36-10-4-7-13-44(36)50-45)47-46(48-41)37-22-23-39-38-11-5-6-12-42(38)49-43(39)26-37;1-3-11-31(12-4-1)35-23-24-37-28-38(26-25-36(37)27-35)43-30-42(33-19-21-34(22-20-33)45-29-39-15-7-10-18-44(39)49-45)47-46(48-43)41-17-9-8-16-40(41)32-13-5-2-6-14-32;1-2-7-30(8-3-1)35-20-21-37-26-38(23-22-36(37)25-35)42-28-41(32-14-16-33(17-15-32)44-27-39-9-4-5-11-43(39)49-44)47-45(48-42)34-18-12-31(13-19-34)40-10-6-24-46-29-40/h1-28H;1-30H;1-29H
InChIKeyAWFYRDIBCMJTGB-UHFFFAOYSA-N
XLogP38.17
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.45
LogP ≤ 538.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

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Related Compounds

2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-3-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519456
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-2-yl)-1,3,5-triazine
CID 147710318
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-1-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 149135658
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155096700
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-4-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096713
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096731
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(4-pyridin-4-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341426
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
3-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-ethenylpent-4-enenitrile;4-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-methylidenehex-5-enenitrile;tetrakis(2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine);4-[(5E)-6-fluorohexa-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157080266

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 157250143) is 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccccc5-c5ccccc5)n4)ccc3c2)cc1.
What is the InChIKey of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is AWFYRDIBCMJTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS.C46H30N2S.C45H29N3S/c1-2-8-29(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)45-27-36-10-4-7-13-44(36)50-45)47-46(48-41)37-22-23-39-38-11-5-6-12-42(38)49-43(39)26-37;1-3-11-31(12-4-1)35-23-24-37-28-38(26-25-36(37)27-35)43-30-42(33-19-21-34(22-20-33)45-29-39-15-7-10-18-44(39)49-45)47-46(48-43)41-17-9-8-16-40(41)32-13-5-2-6-14-32;1-2-7-30(8-3-1)35-20-21-37-26-38(23-22-36(37)25-35)42-28-41(32-14-16-33(17-15-32)44-27-39-9-4-5-11-43(39)49-44)47-45(48-42)34-18-12-31(13-19-34)40-10-6-24-46-29-40/h1-28H;1-30H;1-29H.
What are the key properties of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1943.45 g/mol, XLogP of 38.17, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157250143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).