4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine

C102H60N4O4 — CID 134250654

IUPAC4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4oc5cc(-c6cccc(-c7ccc(-c8cc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9-c9ccc%10oc%11ccccc%11c%10c9)nc(-c9ccccc9)n8)cc7)c6)ccc5c4c3)n2)cc1
InChIInChI=1S/C102H60N4O4/c1-3-18-64(19-4-1)101-103-88(59-90(105-101)82-29-16-28-77(73-43-49-96-85(56-73)79-26-10-13-31-93(79)108-96)100(82)75-44-50-97-87(57-75)80-27-11-14-32-94(80)109-97)63-36-33-62(34-37-63)67-23-15-24-68(51-67)71-40-46-81-86-55-72(42-48-98(86)110-99(81)58-71)76-45-39-69(70-41-47-95-84(54-70)78-25-9-12-30-92(78)107-95)53-83(76)91-60-89(104-102(106-91)65-20-5-2-6-21-65)74-38-35-61-17-7-8-22-66(61)52-74/h1-60H
InChIKeyIWPUXBTXINXHNH-UHFFFAOYSA-N
MW1405.63 g/mol
LogP28.02
Rot. Bonds12

About 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine

4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine (PubChem CID 134250654) has the molecular formula C102H60N4O4 and a molecular weight of 1405.63 g/mol. Its IUPAC name is 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
PubChem CID134250654
Molecular FormulaC102H60N4O4
Molecular Weight1405.63 g/mol
Exact Mass1404.46
IUPAC Name4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4oc5cc(-c6cccc(-c7ccc(-c8cc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9-c9ccc%10oc%11ccccc%11c%10c9)nc(-c9ccccc9)n8)cc7)c6)ccc5c4c3)n2)cc1
InChIInChI=1S/C102H60N4O4/c1-3-18-64(19-4-1)101-103-88(59-90(105-101)82-29-16-28-77(73-43-49-96-85(56-73)79-26-10-13-31-93(79)108-96)100(82)75-44-50-97-87(57-75)80-27-11-14-32-94(80)109-97)63-36-33-62(34-37-63)67-23-15-24-68(51-67)71-40-46-81-86-55-72(42-48-98(86)110-99(81)58-71)76-45-39-69(70-41-47-95-84(54-70)78-25-9-12-30-92(78)107-95)53-83(76)91-60-89(104-102(106-91)65-20-5-2-6-21-65)74-38-35-61-17-7-8-22-66(61)52-74/h1-60H
InChIKeyIWPUXBTXINXHNH-UHFFFAOYSA-N
XLogP28.02
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.63
LogP ≤ 528.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613642
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171584011
4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 146254883
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171585500
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079224
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079279
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084

Frequently Asked Questions

What is the IUPAC name of 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The IUPAC name of 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine (CID 134250654) is 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The canonical SMILES for 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4oc5cc(-c6cccc(-c7ccc(-c8cc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9-c9ccc%10oc%11ccccc%11c%10c9)nc(-c9ccccc9)n8)cc7)c6)ccc5c4c3)n2)cc1.
What is the InChIKey of 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The InChIKey is IWPUXBTXINXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N4O4/c1-3-18-64(19-4-1)101-103-88(59-90(105-101)82-29-16-28-77(73-43-49-96-85(56-73)79-26-10-13-31-93(79)108-96)100(82)75-44-50-97-87(57-75)80-27-11-14-32-94(80)109-97)63-36-33-62(34-37-63)67-23-15-24-68(51-67)71-40-46-81-86-55-72(42-48-98(86)110-99(81)58-71)76-45-39-69(70-41-47-95-84(54-70)78-25-9-12-30-92(78)107-95)53-83(76)91-60-89(104-102(106-91)65-20-5-2-6-21-65)74-38-35-61-17-7-8-22-66(61)52-74/h1-60H.
What are the key properties of 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine has a molecular weight of 1405.63 g/mol, XLogP of 28.02, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine is sourced from PubChem (CID 134250654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).