2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine

C106H62N4O4 — CID 130361249

IUPAC2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4cccc(-c6ccc(-c7nc(-c8ccc(-c9cccc%10ccccc9%10)cc8)cc(-c8cc(-c9cccc%10c9oc9ccccc9%10)cc(-c9cccc%10c9oc9ccccc9%10)c8)n7)cc6)c45)c3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C106H62N4O4/c1-2-23-68(24-3-1)105-109-94(62-95(110-105)84-38-15-26-64-22-5-7-28-78(64)84)75-59-72(82-36-18-41-90-87-31-10-13-45-98(87)113-103(82)90)56-73(60-75)83-37-19-42-91-100-79(33-20-46-99(100)114-104(83)91)66-49-53-69(54-50-66)106-107-92(67-51-47-65(48-52-67)77-32-14-25-63-21-4-6-27-76(63)77)61-93(108-106)74-57-70(80-34-16-39-88-85-29-8-11-43-96(85)111-101(80)88)55-71(58-74)81-35-17-40-89-86-30-9-12-44-97(86)112-102(81)89/h1-62H
InChIKeyULBRGBGQTRSJIY-UHFFFAOYSA-N
MW1455.69 g/mol
LogP29.17
Rot. Bonds12

About 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine

2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine (PubChem CID 130361249) has the molecular formula C106H62N4O4 and a molecular weight of 1455.69 g/mol. Its IUPAC name is 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
PubChem CID130361249
Molecular FormulaC106H62N4O4
Molecular Weight1455.69 g/mol
Exact Mass1454.48
IUPAC Name2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4cccc(-c6ccc(-c7nc(-c8ccc(-c9cccc%10ccccc9%10)cc8)cc(-c8cc(-c9cccc%10c9oc9ccccc9%10)cc(-c9cccc%10c9oc9ccccc9%10)c8)n7)cc6)c45)c3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C106H62N4O4/c1-2-23-68(24-3-1)105-109-94(62-95(110-105)84-38-15-26-64-22-5-7-28-78(64)84)75-59-72(82-36-18-41-90-87-31-10-13-45-98(87)113-103(82)90)56-73(60-75)83-37-19-42-91-100-79(33-20-46-99(100)114-104(83)91)66-49-53-69(54-50-66)106-107-92(67-51-47-65(48-52-67)77-32-14-25-63-21-4-6-27-76(63)77)61-93(108-106)74-57-70(80-34-16-39-88-85-29-8-11-43-96(85)111-101(80)88)55-71(58-74)81-35-17-40-89-86-30-9-12-44-97(86)112-102(81)89/h1-62H
InChIKeyULBRGBGQTRSJIY-UHFFFAOYSA-N
XLogP29.17
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001455.69
LogP ≤ 529.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine with MolForge

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Related Compounds

4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 159701721
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 171582841
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123621988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine (CID 130361249) is 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4cccc(-c6ccc(-c7nc(-c8ccc(-c9cccc%10ccccc9%10)cc8)cc(-c8cc(-c9cccc%10c9oc9ccccc9%10)cc(-c9cccc%10c9oc9ccccc9%10)c8)n7)cc6)c45)c3)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
The InChIKey is ULBRGBGQTRSJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N4O4/c1-2-23-68(24-3-1)105-109-94(62-95(110-105)84-38-15-26-64-22-5-7-28-78(64)84)75-59-72(82-36-18-41-90-87-31-10-13-45-98(87)113-103(82)90)56-73(60-75)83-37-19-42-91-100-79(33-20-46-99(100)114-104(83)91)66-49-53-69(54-50-66)106-107-92(67-51-47-65(48-52-67)77-32-14-25-63-21-4-6-27-76(63)77)61-93(108-106)74-57-70(80-34-16-39-88-85-29-8-11-43-96(85)111-101(80)88)55-71(58-74)81-35-17-40-89-86-30-9-12-44-97(86)112-102(81)89/h1-62H.
What are the key properties of 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine?
2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine has a molecular weight of 1455.69 g/mol, XLogP of 29.17, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine is sourced from PubChem (CID 130361249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).