4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline

C84H50N6 — CID 163859257

IUPAC4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccc(-c8cncc9ccccc89)cc7)nc(-c7ccc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)cc7)n6)c5)nc4)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C84H50N6/c1-2-13-54(14-3-1)77-46-79(90-84(89-77)74-43-42-73-67-22-9-7-20-65(67)70-25-12-26-71(74)82(70)73)55-33-27-51(28-34-55)60-39-44-76(86-49-60)58-16-10-17-59(45-58)80-47-78(56-35-29-53(30-36-56)75-50-85-48-61-15-4-5-18-62(61)75)87-83(88-80)57-37-31-52(32-38-57)63-40-41-72-66-21-8-6-19-64(66)69-24-11-23-68(63)81(69)72/h1-50H
InChIKeyPBBGJVBXLSTSLA-UHFFFAOYSA-N
MW1143.37 g/mol
LogP21.48
Rot. Bonds10

About 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline

4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline (PubChem CID 163859257) has the molecular formula C84H50N6 and a molecular weight of 1143.37 g/mol. Its IUPAC name is 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline.

Molecular Properties

Compound Name4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline
PubChem CID163859257
Molecular FormulaC84H50N6
Molecular Weight1143.37 g/mol
Exact Mass1142.41
IUPAC Name4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccc(-c8cncc9ccccc89)cc7)nc(-c7ccc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)cc7)n6)c5)nc4)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C84H50N6/c1-2-13-54(14-3-1)77-46-79(90-84(89-77)74-43-42-73-67-22-9-7-20-65(67)70-25-12-26-71(74)82(70)73)55-33-27-51(28-34-55)60-39-44-76(86-49-60)58-16-10-17-59(45-58)80-47-78(56-35-29-53(30-36-56)75-50-85-48-61-15-4-5-18-62(61)75)87-83(88-80)57-37-31-52(32-38-57)63-40-41-72-66-21-8-6-19-64(66)69-24-11-23-68(63)81(69)72/h1-50H
InChIKeyPBBGJVBXLSTSLA-UHFFFAOYSA-N
XLogP21.48
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.37
LogP ≤ 521.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]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

4-[4-[6-(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130263780
4-[4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]isoquinoline
CID 165168443
4-[4-[6-(3-naphthalen-1-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384409
4-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenylpyrimidin-2-yl]phenyl]isoquinoline
CID 130264175
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130265025
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264228
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
2-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384370
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline?
The IUPAC name of 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline (CID 163859257) is 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline.
What is the SMILES notation for 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline?
The canonical SMILES for 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccc(-c8cncc9ccccc89)cc7)nc(-c7ccc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)cc7)n6)c5)nc4)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline?
The InChIKey is PBBGJVBXLSTSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N6/c1-2-13-54(14-3-1)77-46-79(90-84(89-77)74-43-42-73-67-22-9-7-20-65(67)70-25-12-26-71(74)82(70)73)55-33-27-51(28-34-55)60-39-44-76(86-49-60)58-16-10-17-59(45-58)80-47-78(56-35-29-53(30-36-56)75-50-85-48-61-15-4-5-18-62(61)75)87-83(88-80)57-37-31-52(32-38-57)63-40-41-72-66-21-8-6-19-64(66)69-24-11-23-68(63)81(69)72/h1-50H.
What are the key properties of 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline?
4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline has a molecular weight of 1143.37 g/mol, XLogP of 21.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline is sourced from PubChem (CID 163859257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).