2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine

C41H33N3O — CID 166017992

IUPAC2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3ccccc3C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C41H33N3O/c1-2-9-28(10-3-1)38-42-39(30-15-14-27-8-4-5-11-29(27)23-30)44-40(43-38)31-16-17-35-37(24-31)45-36-13-7-6-12-34(36)41(35)32-19-25-18-26(21-32)22-33(41)20-25/h1-17,23-26,32-33H,18-22H2
InChIKeyUYUBJJDXWMKREJ-UHFFFAOYSA-N
MW583.74 g/mol
LogP9.87
Rot. Bonds3

About 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine (PubChem CID 166017992) has the molecular formula C41H33N3O and a molecular weight of 583.74 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
PubChem CID166017992
Molecular FormulaC41H33N3O
Molecular Weight583.74 g/mol
Exact Mass583.26
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3ccccc3C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C41H33N3O/c1-2-9-28(10-3-1)38-42-39(30-15-14-27-8-4-5-11-29(27)23-30)44-40(43-38)31-16-17-35-37(24-31)45-36-13-7-6-12-34(36)41(35)32-19-25-18-26(21-32)22-33(41)20-25/h1-17,23-26,32-33H,18-22H2
InChIKeyUYUBJJDXWMKREJ-UHFFFAOYSA-N
XLogP9.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.74
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-spiro[adamantane-2,9'-xanthene]-2'-yl-1,3,5-triazine
CID 166017775
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,9'-xanthene]-3'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166017792
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017896
2,4-diphenyl-6-spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,3,5-triazine
CID 167353589
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353943
2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166017889
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
2-naphthalen-2-yl-4-phenyl-6-[2-(2-spiro[adamantane-2,11'-benzo[a]fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353731
N-(4-naphthalen-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594666
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166017806

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine (CID 166017992) is 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)Oc3ccccc3C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine?
The InChIKey is UYUBJJDXWMKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N3O/c1-2-9-28(10-3-1)38-42-39(30-15-14-27-8-4-5-11-29(27)23-30)44-40(43-38)31-16-17-35-37(24-31)45-36-13-7-6-12-34(36)41(35)32-19-25-18-26(21-32)22-33(41)20-25/h1-17,23-26,32-33H,18-22H2.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine has a molecular weight of 583.74 g/mol, XLogP of 9.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine is sourced from PubChem (CID 166017992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).