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

C61H38N4 — CID 156528600

IUPAC2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)n4)cc3)c(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C61H38N4/c1-3-18-41(19-4-1)55-38-37-45(57(62-55)48-27-15-22-39-17-7-8-23-44(39)48)40-33-35-43(36-34-40)59-63-58(42-20-5-2-6-21-42)64-60(65-59)50-28-16-32-54-56(50)49-26-11-14-31-53(49)61(54)51-29-12-9-24-46(51)47-25-10-13-30-52(47)61/h1-38H
InChIKeyKMLFNWLCSYMUOR-UHFFFAOYSA-N
MW827.00 g/mol
LogP14.77
Rot. Bonds6

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

2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine (PubChem CID 156528600) has the molecular formula C61H38N4 and a molecular weight of 827.00 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
PubChem CID156528600
Molecular FormulaC61H38N4
Molecular Weight827.00 g/mol
Exact Mass826.31
IUPAC Name2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)n4)cc3)c(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C61H38N4/c1-3-18-41(19-4-1)55-38-37-45(57(62-55)48-27-15-22-39-17-7-8-23-44(39)48)40-33-35-43(36-34-40)59-63-58(42-20-5-2-6-21-42)64-60(65-59)50-28-16-32-54-56(50)49-26-11-14-31-53(49)61(54)51-29-12-9-24-46(51)47-25-10-13-30-52(47)61/h1-38H
InChIKeyKMLFNWLCSYMUOR-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-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
2-naphthalen-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146648554
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
2-naphthalen-1-yl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146187468
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 153357769
4-phenanthren-2-yl-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 130355554
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
CID 146495903
CID 146495903
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The IUPAC name of 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine (CID 156528600) is 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)n4)cc3)c(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The InChIKey is KMLFNWLCSYMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4/c1-3-18-41(19-4-1)55-38-37-45(57(62-55)48-27-15-22-39-17-7-8-23-44(39)48)40-33-35-43(36-34-40)59-63-58(42-20-5-2-6-21-42)64-60(65-59)50-28-16-32-54-56(50)49-26-11-14-31-53(49)61(54)51-29-12-9-24-46(51)47-25-10-13-30-52(47)61/h1-38H.
What are the key properties of 2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
2-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-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-[4-(2-naphthalen-1-yl-6-phenyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine is sourced from PubChem (CID 156528600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).