8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline

C53H32N4O — CID 146547492

IUPAC8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline
SMILESc1ccc(-c2nc(-c3cccc4c3-c3c(-c5cccc6cccnc56)cccc3C43c4ccccc4Oc4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C53H32N4O/c1-2-16-35(17-3-1)50-55-51(39-24-10-18-33-15-4-5-21-36(33)39)57-52(56-50)40-25-13-29-44-48(40)47-37(38-23-11-19-34-20-14-32-54-49(34)38)22-12-28-43(47)53(44)41-26-6-8-30-45(41)58-46-31-9-7-27-42(46)53/h1-32H
InChIKeyRBBHIZNGADULHL-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.71
Rot. Bonds4

About 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline

8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline (PubChem CID 146547492) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline.

Molecular Properties

Compound Name8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline
PubChem CID146547492
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline
SMILESc1ccc(-c2nc(-c3cccc4c3-c3c(-c5cccc6cccnc56)cccc3C43c4ccccc4Oc4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C53H32N4O/c1-2-16-35(17-3-1)50-55-51(39-24-10-18-33-15-4-5-21-36(33)39)57-52(56-50)40-25-13-29-44-48(40)47-37(38-23-11-19-34-20-14-32-54-49(34)38)22-12-28-43(47)53(44)41-26-6-8-30-45(41)58-46-31-9-7-27-42(46)53/h1-32H
InChIKeyRBBHIZNGADULHL-UHFFFAOYSA-N
XLogP12.71
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793250
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648566
8-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;7-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 158598038
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
2-naphthalen-1-yl-4-phenyl-6-spiro[hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene-23,9'-xanthene]-3'-yl-1,3,5-triazine
CID 163697005
8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547203
CID 146184431
CID 146184431
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 146547779

Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline?
The IUPAC name of 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline (CID 146547492) is 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline.
What is the SMILES notation for 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline?
The canonical SMILES for 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline is c1ccc(-c2nc(-c3cccc4c3-c3c(-c5cccc6cccnc56)cccc3C43c4ccccc4Oc4ccccc43)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline?
The InChIKey is RBBHIZNGADULHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-16-35(17-3-1)50-55-51(39-24-10-18-33-15-4-5-21-36(33)39)57-52(56-50)40-25-13-29-44-48(40)47-37(38-23-11-19-34-20-14-32-54-49(34)38)22-12-28-43(47)53(44)41-26-6-8-30-45(41)58-46-31-9-7-27-42(46)53/h1-32H.
What are the key properties of 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline?
8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline has a molecular weight of 740.87 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline is sourced from PubChem (CID 146547492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).