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

C53H32N4O — CID 164793250

IUPAC8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C53H32N4O/c1-2-14-35(15-3-1)50-55-51(57-52(56-50)42-23-10-16-33-13-4-5-19-38(33)42)37-27-29-46-48(32-37)58-47-31-36(39-22-11-17-34-18-12-30-54-49(34)39)26-28-45(47)53(46)43-24-8-6-20-40(43)41-21-7-9-25-44(41)53/h1-32H
InChIKeyXDJIFNLRLLDTGS-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.71
Rot. Bonds4

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

8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline (PubChem CID 164793250) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline.

Molecular Properties

Compound Name8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
PubChem CID164793250
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C53H32N4O/c1-2-14-35(15-3-1)50-55-51(57-52(56-50)42-23-10-16-33-13-4-5-19-38(33)42)37-27-29-46-48(32-37)58-47-31-36(39-22-11-17-34-18-12-30-54-49(34)39)26-28-45(47)53(46)43-24-8-6-20-40(43)41-21-7-9-25-44(41)53/h1-32H
InChIKeyXDJIFNLRLLDTGS-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-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042
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-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinoline
CID 146547492
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
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
5-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]isoquinoline
CID 146547947
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793113
CID 146495903
CID 146495903
3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile
CID 146362166
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799

Frequently Asked Questions

What is the IUPAC name of 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
The IUPAC name of 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline (CID 164793250) is 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline.
What is the SMILES notation for 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
The canonical SMILES for 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline is c1ccc(-c2nc(-c3ccc4c(c3)Oc3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
The InChIKey is XDJIFNLRLLDTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-14-35(15-3-1)50-55-51(57-52(56-50)42-23-10-16-33-13-4-5-19-38(33)42)37-27-29-46-48(32-37)58-47-31-36(39-22-11-17-34-18-12-30-54-49(34)39)26-28-45(47)53(46)43-24-8-6-20-40(43)41-21-7-9-25-44(41)53/h1-32H.
What are the key properties of 8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-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-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline is sourced from PubChem (CID 164793250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).