2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine

C54H35N3O — CID 154931855

IUPAC2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(C3N=C(c4ccc(-c5cccc6ccccc56)cc4)NC(c4ccc5ccccc5c4)=N3)cccc21
InChIInChI=1S/C54H35N3O/c1-2-15-38-33-39(32-27-34(38)13-1)52-55-51(37-30-28-36(29-31-37)41-19-11-16-35-14-3-4-17-40(35)41)56-53(57-52)43-20-12-24-47-50(43)42-18-5-6-21-44(42)54(47)45-22-7-9-25-48(45)58-49-26-10-8-23-46(49)54/h1-33,53H,(H,55,56,57)
InChIKeyZTNGBGKQEGCSOB-UHFFFAOYSA-N
MW741.89 g/mol
LogP12.62
Rot. Bonds4

About 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine

2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 154931855) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
PubChem CID154931855
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(C3N=C(c4ccc(-c5cccc6ccccc56)cc4)NC(c4ccc5ccccc5c4)=N3)cccc21
InChIInChI=1S/C54H35N3O/c1-2-15-38-33-39(32-27-34(38)13-1)52-55-51(37-30-28-36(29-31-37)41-19-11-16-35-14-3-4-17-40(35)41)56-53(57-52)43-20-12-24-47-50(43)42-18-5-6-21-44(42)54(47)45-22-7-9-25-48(45)58-49-26-10-8-23-46(49)54/h1-33,53H,(H,55,56,57)
InChIKeyZTNGBGKQEGCSOB-UHFFFAOYSA-N
XLogP12.62
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 512.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931854
4-benzo[g]phenanthren-4-yl-2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170132179
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,4-dihydro-1,3,5-triazine
CID 166846555
4-naphthalen-1-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-3-ium
CID 163901285
2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine
CID 129099680
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 163416257
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
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 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) is 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(C3N=C(c4ccc(-c5cccc6ccccc56)cc4)NC(c4ccc5ccccc5c4)=N3)cccc21.
What is the InChIKey of 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is ZTNGBGKQEGCSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-15-38-33-39(32-27-34(38)13-1)52-55-51(37-30-28-36(29-31-37)41-19-11-16-35-14-3-4-17-40(35)41)56-53(57-52)43-20-12-24-47-50(43)42-18-5-6-21-44(42)54(47)45-22-7-9-25-48(45)58-49-26-10-8-23-46(49)54/h1-33,53H,(H,55,56,57).
What are the key properties of 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 741.89 g/mol, XLogP of 12.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 154931855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).