2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine

C45H28N4 — CID 167178263

IUPAC2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C45H28N4/c1-2-14-29(15-3-1)42-47-43(31-17-12-16-30(28-31)40-26-10-11-27-46-40)49-44(48-42)35-21-13-25-39-41(35)34-20-6-9-24-38(34)45(39)36-22-7-4-18-32(36)33-19-5-8-23-37(33)45/h1-28H
InChIKeyIZUWEPUHRBNNNQ-UHFFFAOYSA-N
MW624.75 g/mol
LogP10.28
Rot. Bonds4

About 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine

2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine (PubChem CID 167178263) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
PubChem CID167178263
Molecular FormulaC45H28N4
Molecular Weight624.75 g/mol
Exact Mass624.23
IUPAC Name2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C45H28N4/c1-2-14-29(15-3-1)42-47-43(31-17-12-16-30(28-31)40-26-10-11-27-46-40)49-44(48-42)35-21-13-25-39-41(35)34-20-6-9-24-38(34)45(39)36-22-7-4-18-32(36)33-19-5-8-23-37(33)45/h1-28H
InChIKeyIZUWEPUHRBNNNQ-UHFFFAOYSA-N
XLogP10.28
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 167177836
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146632572
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995628
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 153287675
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[3-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 160899727
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine;2-(2-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 159964451
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 147850051
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine (CID 167178263) is 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The InChIKey is IZUWEPUHRBNNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-2-14-29(15-3-1)42-47-43(31-17-12-16-30(28-31)40-26-10-11-27-46-40)49-44(48-42)35-21-13-25-39-41(35)34-20-6-9-24-38(34)45(39)36-22-7-4-18-32(36)33-19-5-8-23-37(33)45/h1-28H.
What are the key properties of 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine has a molecular weight of 624.75 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine is sourced from PubChem (CID 167178263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).