5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine

C61H38N6 — CID 155116782

IUPAC5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine
SMILESc1cc(-c2cc(-c3cccc(-c4cccc(-c5cncnc5)n4)c3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc(-c2cccc(-c3cncnc3)n2)c1
InChIInChI=1S/C61H38N6/c1-4-18-53-49(15-1)50-16-2-5-19-54(50)61(53)55-20-6-3-17-51(55)52-26-25-41(32-56(52)61)46-30-44(39-11-7-13-42(27-39)57-21-9-23-59(66-57)47-33-62-37-63-34-47)29-45(31-46)40-12-8-14-43(28-40)58-22-10-24-60(67-58)48-35-64-38-65-36-48/h1-38H
InChIKeyLAPXYBSXKSRQAW-UHFFFAOYSA-N
MW855.02 g/mol
LogP14.07
Rot. Bonds7

About 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine

5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine (PubChem CID 155116782) has the molecular formula C61H38N6 and a molecular weight of 855.02 g/mol. Its IUPAC name is 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine
PubChem CID155116782
Molecular FormulaC61H38N6
Molecular Weight855.02 g/mol
Exact Mass854.32
IUPAC Name5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine
SMILESc1cc(-c2cc(-c3cccc(-c4cccc(-c5cncnc5)n4)c3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc(-c2cccc(-c3cncnc3)n2)c1
InChIInChI=1S/C61H38N6/c1-4-18-53-49(15-1)50-16-2-5-19-54(50)61(53)55-20-6-3-17-51(55)52-26-25-41(32-56(52)61)46-30-44(39-11-7-13-42(27-39)57-21-9-23-59(66-57)47-33-62-37-63-34-47)29-45(31-46)40-12-8-14-43(28-40)58-22-10-24-60(67-58)48-35-64-38-65-36-48/h1-38H
InChIKeyLAPXYBSXKSRQAW-UHFFFAOYSA-N
XLogP14.07
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.02
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2-[3-(6-phenyl-2-pyridinyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)-6-[3-[6-(4-tritiophenyl)-2-pyridinyl]phenyl]-1,3,5-triazine
CID 162483893
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943557
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2,4-diphenyl-6-(3-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)pyrimidine
CID 155123113
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine?
The IUPAC name of 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine (CID 155116782) is 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine is c1cc(-c2cc(-c3cccc(-c4cccc(-c5cncnc5)n4)c3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc(-c2cccc(-c3cncnc3)n2)c1.
What is the InChIKey of 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine?
The InChIKey is LAPXYBSXKSRQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N6/c1-4-18-53-49(15-1)50-16-2-5-19-54(50)61(53)55-20-6-3-17-51(55)52-26-25-41(32-56(52)61)46-30-44(39-11-7-13-42(27-39)57-21-9-23-59(66-57)47-33-62-37-63-34-47)29-45(31-46)40-12-8-14-43(28-40)58-22-10-24-60(67-58)48-35-64-38-65-36-48/h1-38H.
What are the key properties of 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine?
5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine has a molecular weight of 855.02 g/mol, XLogP of 14.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 155116782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).