2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine

C54H35N3 — CID 170412039

IUPAC2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5ccccc5c(-c5ccccc5)c3-4)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C54H35N3/c1-3-16-35(17-4-1)49-41-22-10-9-21-38(41)32-48-50(49)44-30-29-40(33-47(44)54(48)45-25-13-11-23-42(45)43-24-12-14-26-46(43)54)53-56-51(36-18-5-2-6-19-36)55-52(57-53)39-28-27-34-15-7-8-20-37(34)31-39/h1-33,53H,(H,55,56,57)
InChIKeyXPOWQOIPILVWMY-UHFFFAOYSA-N
MW725.90 g/mol
LogP12.50
Rot. Bonds4

About 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine

2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170412039) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID170412039
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5ccccc5c(-c5ccccc5)c3-4)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C54H35N3/c1-3-16-35(17-4-1)49-41-22-10-9-21-38(41)32-48-50(49)44-30-29-40(33-47(44)54(48)45-25-13-11-23-42(45)43-24-12-14-26-46(43)54)53-56-51(36-18-5-2-6-19-36)55-52(57-53)39-28-27-34-15-7-8-20-37(34)31-39/h1-33,53H,(H,55,56,57)
InChIKeyXPOWQOIPILVWMY-UHFFFAOYSA-N
XLogP12.50
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 512.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
CID 129099533
CID 129099533
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
CID 170411801
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931855

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine (CID 170412039) is 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5ccccc5c(-c5ccccc5)c3-4)N=C(c3ccc4ccccc4c3)N2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is XPOWQOIPILVWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-16-35(17-4-1)49-41-22-10-9-21-38(41)32-48-50(49)44-30-29-40(33-47(44)54(48)45-25-13-11-23-42(45)43-24-12-14-26-46(43)54)53-56-51(36-18-5-2-6-19-36)55-52(57-53)39-28-27-34-15-7-8-20-37(34)31-39/h1-33,53H,(H,55,56,57).
What are the key properties of 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 725.90 g/mol, XLogP of 12.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170412039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).