10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

C102H58N6O4 — CID 155018390

IUPAC10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4nc5c6cccc(-c7ccc(-c8nc(-c9cccc(-c%10nc%11c%12ccccc%12oc%11c%11ccccc%10%11)c9)cc(-c9ccc%10cc(-c%11cccc%12oc%13ccccc%13c%11%12)ccc%10c9)n8)cc7)c6oc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C102H58N6O4/c1-2-19-61(20-3-1)84-57-85(62-45-41-59(42-46-62)73-33-16-35-78-75-25-8-11-37-88(75)110-97(73)78)104-102(103-84)71-24-15-23-70(56-71)94-77-27-5-7-29-80(77)100-96(108-94)83-36-17-34-74(98(83)112-100)60-43-47-63(48-44-60)101-105-86(67-21-14-22-69(55-67)93-76-26-4-6-28-79(76)99-95(107-93)82-31-10-13-39-90(82)111-99)58-87(106-101)68-52-50-64-53-66(51-49-65(64)54-68)72-32-18-40-91-92(72)81-30-9-12-38-89(81)109-91/h1-58H
InChIKeyXASCWRXMQRVMNZ-UHFFFAOYSA-N
MW1431.62 g/mol
LogP27.45
Rot. Bonds11

About 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 155018390) has the molecular formula C102H58N6O4 and a molecular weight of 1431.62 g/mol. Its IUPAC name is 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID155018390
Molecular FormulaC102H58N6O4
Molecular Weight1431.62 g/mol
Exact Mass1430.45
IUPAC Name10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4nc5c6cccc(-c7ccc(-c8nc(-c9cccc(-c%10nc%11c%12ccccc%12oc%11c%11ccccc%10%11)c9)cc(-c9ccc%10cc(-c%11cccc%12oc%13ccccc%13c%11%12)ccc%10c9)n8)cc7)c6oc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C102H58N6O4/c1-2-19-61(20-3-1)84-57-85(62-45-41-59(42-46-62)73-33-16-35-78-75-25-8-11-37-88(75)110-97(73)78)104-102(103-84)71-24-15-23-70(56-71)94-77-27-5-7-29-80(77)100-96(108-94)83-36-17-34-74(98(83)112-100)60-43-47-63(48-44-60)101-105-86(67-21-14-22-69(55-67)93-76-26-4-6-28-79(76)99-95(107-93)82-31-10-13-39-90(82)111-99)58-87(106-101)68-52-50-64-53-66(51-49-65(64)54-68)72-32-18-40-91-92(72)81-30-9-12-38-89(81)109-91/h1-58H
InChIKeyXASCWRXMQRVMNZ-UHFFFAOYSA-N
XLogP27.45
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.62
LogP ≤ 527.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163537669
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
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-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline
CID 157187607
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163764895
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 162005559
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (CID 155018390) is 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4nc5c6cccc(-c7ccc(-c8nc(-c9cccc(-c%10nc%11c%12ccccc%12oc%11c%11ccccc%10%11)c9)cc(-c9ccc%10cc(-c%11cccc%12oc%13ccccc%13c%11%12)ccc%10c9)n8)cc7)c6oc5c5ccccc45)c3)n2)cc1.
What is the InChIKey of 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is XASCWRXMQRVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H58N6O4/c1-2-19-61(20-3-1)84-57-85(62-45-41-59(42-46-62)73-33-16-35-78-75-25-8-11-37-88(75)110-97(73)78)104-102(103-84)71-24-15-23-70(56-71)94-77-27-5-7-29-80(77)100-96(108-94)83-36-17-34-74(98(83)112-100)60-43-47-63(48-44-60)101-105-86(67-21-14-22-69(55-67)93-76-26-4-6-28-79(76)99-95(107-93)82-31-10-13-39-90(82)111-99)58-87(106-101)68-52-50-64-53-66(51-49-65(64)54-68)72-32-18-40-91-92(72)81-30-9-12-38-89(81)109-91/h1-58H.
What are the key properties of 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 1431.62 g/mol, XLogP of 27.45, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 155018390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).