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

C51H32N4 — CID 146632404

IUPAC2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccncc4)nc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)c2)cc1
InChIInChI=1S/C51H32N4/c1-2-13-33(14-3-1)35-15-10-17-37(31-35)49-53-48(34-27-29-52-30-28-34)54-50(55-49)38-18-11-16-36(32-38)39-22-12-26-46-47(39)42-21-6-9-25-45(42)51(46)43-23-7-4-19-40(43)41-20-5-8-24-44(41)51/h1-32H
InChIKeyIHIDCPDUFPZFGL-UHFFFAOYSA-N
MW700.85 g/mol
LogP11.95
Rot. Bonds5

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

2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine (PubChem CID 146632404) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
PubChem CID146632404
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccncc4)nc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)c2)cc1
InChIInChI=1S/C51H32N4/c1-2-13-33(14-3-1)35-15-10-17-37(31-35)49-53-48(34-27-29-52-30-28-34)54-50(55-49)38-18-11-16-36(32-38)39-22-12-26-46-47(39)42-21-6-9-25-45(42)51(46)43-23-7-4-19-40(43)41-20-5-8-24-44(41)51/h1-32H
InChIKeyIHIDCPDUFPZFGL-UHFFFAOYSA-N
XLogP11.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(4-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146633327
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
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
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146187475
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
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-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648936

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine (CID 146632404) is 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccncc4)nc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)c2)cc1.
What is the InChIKey of 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The InChIKey is IHIDCPDUFPZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-2-13-33(14-3-1)35-15-10-17-37(31-35)49-53-48(34-27-29-52-30-28-34)54-50(55-49)38-18-11-16-36(32-38)39-22-12-26-46-47(39)42-21-6-9-25-45(42)51(46)43-23-7-4-19-40(43)41-20-5-8-24-44(41)51/h1-32H.
What are the key properties of 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine has a molecular weight of 700.85 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146632404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).