2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine

C60H46N2 — CID 176793720

IUPAC2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cccc5c4-c4cc6ccccc6cc4C54C5CC6CC(C5)CC4C6)cc3)n2)cc1
InChIInChI=1S/C60H46N2/c1-3-14-40(15-4-1)48-20-9-11-22-51(48)56-37-57(62-59(61-56)43-16-5-2-6-17-43)52-23-12-10-21-49(52)41-26-28-42(29-27-41)50-24-13-25-54-58(50)53-35-44-18-7-8-19-45(44)36-55(53)60(54)46-31-38-30-39(33-46)34-47(60)32-38/h1-29,35-39,46-47H,30-34H2
InChIKeyZBXAAPRMRKQVNA-UHFFFAOYSA-N
MW795.04 g/mol
LogP15.35
Rot. Bonds6

About 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine

2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine (PubChem CID 176793720) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
PubChem CID176793720
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cccc5c4-c4cc6ccccc6cc4C54C5CC6CC(C5)CC4C6)cc3)n2)cc1
InChIInChI=1S/C60H46N2/c1-3-14-40(15-4-1)48-20-9-11-22-51(48)56-37-57(62-59(61-56)43-16-5-2-6-17-43)52-23-12-10-21-49(52)41-26-28-42(29-27-41)50-24-13-25-54-58(50)53-35-44-18-7-8-19-45(44)36-55(53)60(54)46-31-38-30-39(33-46)34-47(60)32-38/h1-29,35-39,46-47H,30-34H2
InChIKeyZBXAAPRMRKQVNA-UHFFFAOYSA-N
XLogP15.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(2-phenylphenyl)-6-[8-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)naphthalen-2-yl]pyrimidine
CID 176793404
2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylnaphthalen-1-yl)phenyl]pyrimidine
CID 176793774
2-phenyl-4-(3-phenylphenyl)-6-[3-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 176794359
2-phenyl-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylpyrimidine
CID 176794288
2-phenyl-4-(2-phenylphenyl)-6-[10-(3-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)anthracen-9-yl]pyrimidine
CID 176794594
2-phenyl-4-(3-phenylphenyl)-6-[4-(3-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 176794675
2-phenyl-4-(2-phenylphenyl)-6-[3-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylnaphthalen-1-yl)phenyl]pyrimidine
CID 176795139
2,4-diphenyl-6-[4-(2-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)naphthalen-1-yl]pyrimidine
CID 176795363
2,4-diphenyl-6-(1-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylnaphthalen-2-yl)pyrimidine
CID 176795228
2,4-diphenyl-6-[4-(2-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylnaphthalen-1-yl)phenyl]pyrimidine
CID 176794968
2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819010
2-[4-[7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]benzonitrile
CID 168798558

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine (CID 176793720) is 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cccc5c4-c4cc6ccccc6cc4C54C5CC6CC(C5)CC4C6)cc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine?
The InChIKey is ZBXAAPRMRKQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-3-14-40(15-4-1)48-20-9-11-22-51(48)56-37-57(62-59(61-56)43-16-5-2-6-17-43)52-23-12-10-21-49(52)41-26-28-42(29-27-41)50-24-13-25-54-58(50)53-35-44-18-7-8-19-45(44)36-55(53)60(54)46-31-38-30-39(33-46)34-47(60)32-38/h1-29,35-39,46-47H,30-34H2.
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine?
2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine has a molecular weight of 795.04 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 176793720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).