2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine

C53H32N4O — CID 147850051

IUPAC2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)n4)cc3c2)nc1
InChIInChI=1S/C53H32N4O/c1-2-13-35-30-37(27-24-33(35)12-1)50-55-51(38-28-25-34-23-26-36(31-39(34)32-38)46-20-9-10-29-54-46)57-52(56-50)41-15-11-19-45-49(41)40-14-3-4-16-42(40)53(45)43-17-5-7-21-47(43)58-48-22-8-6-18-44(48)53/h1-32H
InChIKeyHUQIVZSXCCKHJZ-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.71
Rot. Bonds4

About 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine

2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine (PubChem CID 147850051) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
PubChem CID147850051
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)n4)cc3c2)nc1
InChIInChI=1S/C53H32N4O/c1-2-13-35-30-37(27-24-33(35)12-1)50-55-51(38-28-25-34-23-26-36(31-39(34)32-38)46-20-9-10-29-54-46)57-52(56-50)41-15-11-19-45-49(41)40-14-3-4-16-42(40)53(45)43-17-5-7-21-47(43)58-48-22-8-6-18-44(48)53/h1-32H
InChIKeyHUQIVZSXCCKHJZ-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

4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 158505780
2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167178263
4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine
CID 167177922
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2,4-dinaphthalen-2-yl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356274
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625
2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 159639452
4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 137388695
2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 137391672
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166737937

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine (CID 147850051) is 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)n4)cc3c2)nc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The InChIKey is HUQIVZSXCCKHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-13-35-30-37(27-24-33(35)12-1)50-55-51(38-28-25-34-23-26-36(31-39(34)32-38)46-20-9-10-29-54-46)57-52(56-50)41-15-11-19-45-49(41)40-14-3-4-16-42(40)53(45)43-17-5-7-21-47(43)58-48-22-8-6-18-44(48)53/h1-32H.
What are the key properties of 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine 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 2-naphthalen-2-yl-4-(7-pyridin-2-ylnaphthalen-2-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine is sourced from PubChem (CID 147850051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).