4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine

C91H55N5O3 — CID 146183453

IUPAC4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccc(-c8cc9c(cc8-c8nc(-c%10ccc(-c%11cc%12ccccc%12o%11)cc%10)cc(-c%10ccc%11cc(-c%12ccccc%12)ccc%11c%10)n8)oc8ccccc89)cc7o6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)ccc3c2)cc1
InChIInChI=1S/C91H55N5O3/c1-3-12-56(13-4-1)64-33-35-68-46-71(40-37-66(68)44-64)82-53-80(93-90(94-82)63-31-21-58(22-32-63)75-17-11-43-92-55-75)59-23-29-62(30-24-59)87-50-74-42-39-70(48-88(74)99-87)77-51-78-76-18-8-10-20-85(76)98-89(78)52-79(77)91-95-81(60-25-27-61(28-26-60)86-49-73-16-7-9-19-84(73)97-86)54-83(96-91)72-41-38-67-45-65(34-36-69(67)47-72)57-14-5-2-6-15-57/h1-55H
InChIKeyNVIZTFDHMOODRG-UHFFFAOYSA-N
MW1266.47 g/mol
LogP24.36
Rot. Bonds12

About 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine

4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine (PubChem CID 146183453) has the molecular formula C91H55N5O3 and a molecular weight of 1266.47 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine
PubChem CID146183453
Molecular FormulaC91H55N5O3
Molecular Weight1266.47 g/mol
Exact Mass1265.43
IUPAC Name4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccc(-c8cc9c(cc8-c8nc(-c%10ccc(-c%11cc%12ccccc%12o%11)cc%10)cc(-c%10ccc%11cc(-c%12ccccc%12)ccc%11c%10)n8)oc8ccccc89)cc7o6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)ccc3c2)cc1
InChIInChI=1S/C91H55N5O3/c1-3-12-56(13-4-1)64-33-35-68-46-71(40-37-66(68)44-64)82-53-80(93-90(94-82)63-31-21-58(22-32-63)75-17-11-43-92-55-75)59-23-29-62(30-24-59)87-50-74-42-39-70(48-88(74)99-87)77-51-78-76-18-8-10-20-85(76)98-89(78)52-79(77)91-95-81(60-25-27-61(28-26-60)86-49-73-16-7-9-19-84(73)97-86)54-83(96-91)72-41-38-67-45-65(34-36-69(67)47-72)57-14-5-2-6-15-57/h1-55H
InChIKeyNVIZTFDHMOODRG-UHFFFAOYSA-N
XLogP24.36
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001266.47
LogP ≤ 524.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
2-(2-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176617013
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573547
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262345
4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452
2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine;2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 159831160
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine?
The IUPAC name of 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine (CID 146183453) is 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine.
What is the SMILES notation for 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine?
The canonical SMILES for 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine is c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccc(-c8cc9c(cc8-c8nc(-c%10ccc(-c%11cc%12ccccc%12o%11)cc%10)cc(-c%10ccc%11cc(-c%12ccccc%12)ccc%11c%10)n8)oc8ccccc89)cc7o6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)ccc3c2)cc1.
What is the InChIKey of 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine?
The InChIKey is NVIZTFDHMOODRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H55N5O3/c1-3-12-56(13-4-1)64-33-35-68-46-71(40-37-66(68)44-64)82-53-80(93-90(94-82)63-31-21-58(22-32-63)75-17-11-43-92-55-75)59-23-29-62(30-24-59)87-50-74-42-39-70(48-88(74)99-87)77-51-78-76-18-8-10-20-85(76)98-89(78)52-79(77)91-95-81(60-25-27-61(28-26-60)86-49-73-16-7-9-19-84(73)97-86)54-83(96-91)72-41-38-67-45-65(34-36-69(67)47-72)57-14-5-2-6-15-57/h1-55H.
What are the key properties of 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine?
4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine has a molecular weight of 1266.47 g/mol, XLogP of 24.36, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzofuran-6-yl]dibenzofuran-3-yl]pyrimidine is sourced from PubChem (CID 146183453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).