4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine

C78H48N6S2 — CID 130270435

IUPAC4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccc(-c8ccc9sc%10ccccc%10c9c8)cc7)nc(-c7ccccc7-c7ccccn7)n6)cc5)ccn4)cc3)n2)cc1
InChIInChI=1S/C78H48N6S2/c1-2-12-52(13-3-1)69-47-70(54-27-21-49(22-28-54)58-37-39-75-65(44-58)62-15-6-8-19-73(62)85-75)82-77(81-69)57-35-33-53(34-36-57)68-46-60(41-43-80-68)51-25-31-56(32-26-51)72-48-71(83-78(84-72)64-17-5-4-14-61(64)67-18-10-11-42-79-67)55-29-23-50(24-30-55)59-38-40-76-66(45-59)63-16-7-9-20-74(63)86-76/h1-48H
InChIKeyRTMHBPQXDVMLAM-UHFFFAOYSA-N
MW1133.42 g/mol
LogP21.13
Rot. Bonds11

About 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine

4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine (PubChem CID 130270435) has the molecular formula C78H48N6S2 and a molecular weight of 1133.42 g/mol. Its IUPAC name is 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine
PubChem CID130270435
Molecular FormulaC78H48N6S2
Molecular Weight1133.42 g/mol
Exact Mass1132.34
IUPAC Name4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccc(-c8ccc9sc%10ccccc%10c9c8)cc7)nc(-c7ccccc7-c7ccccn7)n6)cc5)ccn4)cc3)n2)cc1
InChIInChI=1S/C78H48N6S2/c1-2-12-52(13-3-1)69-47-70(54-27-21-49(22-28-54)58-37-39-75-65(44-58)62-15-6-8-19-73(62)85-75)82-77(81-69)57-35-33-53(34-36-57)68-46-60(41-43-80-68)51-25-31-56(32-26-51)72-48-71(83-78(84-72)64-17-5-4-14-61(64)67-18-10-11-42-79-67)55-29-23-50(24-30-55)59-38-40-76-66(45-59)63-16-7-9-20-74(63)86-76/h1-48H
InChIKeyRTMHBPQXDVMLAM-UHFFFAOYSA-N
XLogP21.13
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.42
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine with MolForge

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Related Compounds

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 130263187
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130262859
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(4-pyrimidin-2-ylphenyl)pyrimidine
CID 130262505
2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine
CID 159041263
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161455917
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 130263302
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261959
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160765748
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine (CID 130270435) is 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccc(-c8ccc9sc%10ccccc%10c9c8)cc7)nc(-c7ccccc7-c7ccccn7)n6)cc5)ccn4)cc3)n2)cc1.
What is the InChIKey of 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine?
The InChIKey is RTMHBPQXDVMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6S2/c1-2-12-52(13-3-1)69-47-70(54-27-21-49(22-28-54)58-37-39-75-65(44-58)62-15-6-8-19-73(62)85-75)82-77(81-69)57-35-33-53(34-36-57)68-46-60(41-43-80-68)51-25-31-56(32-26-51)72-48-71(83-78(84-72)64-17-5-4-14-61(64)67-18-10-11-42-79-67)55-29-23-50(24-30-55)59-38-40-76-66(45-59)63-16-7-9-20-74(63)86-76/h1-48H.
What are the key properties of 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine?
4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine has a molecular weight of 1133.42 g/mol, XLogP of 21.13, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 130270435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).