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

C61H38N4 — CID 146187821

IUPAC2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C61H38N4/c1-2-14-41(15-3-1)53-37-47(60-64-58(45-18-12-17-43(35-45)40-31-33-62-34-32-40)63-59(65-60)46-26-25-39-13-4-5-16-42(39)36-46)28-29-48(53)44-27-30-52-51-21-8-11-24-56(51)61(57(52)38-44)54-22-9-6-19-49(54)50-20-7-10-23-55(50)61/h1-38H
InChIKeyCNEJXCQGUKBXOL-UHFFFAOYSA-N
MW827.00 g/mol
LogP14.77
Rot. Bonds6

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

2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 146187821) has the molecular formula C61H38N4 and a molecular weight of 827.00 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID146187821
Molecular FormulaC61H38N4
Molecular Weight827.00 g/mol
Exact Mass826.31
IUPAC Name2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C61H38N4/c1-2-14-41(15-3-1)53-37-47(60-64-58(45-18-12-17-43(35-45)40-31-33-62-34-32-40)63-59(65-60)46-26-25-39-13-4-5-16-42(39)36-46)28-29-48(53)44-27-30-52-51-21-8-11-24-56(51)61(57(52)38-44)54-22-9-6-19-49(54)50-20-7-10-23-55(50)61/h1-38H
InChIKeyCNEJXCQGUKBXOL-UHFFFAOYSA-N
XLogP14.77
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.00
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187775
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
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
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (CID 146187821) is 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is CNEJXCQGUKBXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4/c1-2-14-41(15-3-1)53-37-47(60-64-58(45-18-12-17-43(35-45)40-31-33-62-34-32-40)63-59(65-60)46-26-25-39-13-4-5-16-42(39)36-46)28-29-48(53)44-27-30-52-51-21-8-11-24-56(51)61(57(52)38-44)54-22-9-6-19-49(54)50-20-7-10-23-55(50)61/h1-38H.
What are the key properties of 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 827.00 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146187821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).