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

C62H39N3 — CID 146649156

IUPAC2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc45)n3)c2)cc1
InChIInChI=1S/C62H39N3/c1-4-19-40(20-5-1)43-37-44(41-21-6-2-7-22-41)39-45(38-43)60-63-59(42-23-8-3-9-24-42)64-61(65-60)54-36-35-48(46-25-10-11-26-47(46)54)52-30-18-31-53-51-29-14-17-34-57(51)62(58(52)53)55-32-15-12-27-49(55)50-28-13-16-33-56(50)62/h1-39H
InChIKeyZOBFTXXLIUSYRM-UHFFFAOYSA-N
MW826.02 g/mol
LogP15.37
Rot. Bonds6

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

2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 146649156) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID146649156
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc45)n3)c2)cc1
InChIInChI=1S/C62H39N3/c1-4-19-40(20-5-1)43-37-44(41-21-6-2-7-22-41)39-45(38-43)60-63-59(42-23-8-3-9-24-42)64-61(65-60)54-36-35-48(46-25-10-11-26-47(46)54)52-30-18-31-53-51-29-14-17-34-57(51)62(58(52)53)55-32-15-12-27-49(55)50-28-13-16-33-56(50)62/h1-39H
InChIKeyZOBFTXXLIUSYRM-UHFFFAOYSA-N
XLogP15.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167359801
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 146648923
2,4-dinaphthalen-1-yl-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 167359765
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
2-(3,5-diphenylphenyl)-4-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]fluoren-9-yl]-6-phenyl-1,3,5-triazine
CID 170367767
2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886282
2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
CID 165151929
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine (CID 146649156) is 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is ZOBFTXXLIUSYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-4-19-40(20-5-1)43-37-44(41-21-6-2-7-22-41)39-45(38-43)60-63-59(42-23-8-3-9-24-42)64-61(65-60)54-36-35-48(46-25-10-11-26-47(46)54)52-30-18-31-53-51-29-14-17-34-57(51)62(58(52)53)55-32-15-12-27-49(55)50-28-13-16-33-56(50)62/h1-39H.
What are the key properties of 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 826.02 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 146649156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).