2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C34H25N3O — CID 163787598

IUPAC2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C34H25N3O/c1-34(2)27-14-8-9-15-29(27)38-30-19-18-26(21-28(30)34)33-36-31(23-11-4-3-5-12-23)35-32(37-33)25-17-16-22-10-6-7-13-24(22)20-25/h3-21H,1-2H3
InChIKeyMTXAOUCUSWMHSE-UHFFFAOYSA-N
MW491.59 g/mol
LogP8.46
Rot. Bonds3

About 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 163787598) has the molecular formula C34H25N3O and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID163787598
Molecular FormulaC34H25N3O
Molecular Weight491.59 g/mol
Exact Mass491.20
IUPAC Name2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C34H25N3O/c1-34(2)27-14-8-9-15-29(27)38-30-19-18-26(21-28(30)34)33-36-31(23-11-4-3-5-12-23)35-32(37-33)25-17-16-22-10-6-7-13-24(22)20-25/h3-21H,1-2H3
InChIKeyMTXAOUCUSWMHSE-UHFFFAOYSA-N
XLogP8.46
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166995683
2-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 138574103
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
CID 166908596
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-4,6-diphenyl-1,3,5-triazine
CID 138573631
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
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-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 163787598) is 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is MTXAOUCUSWMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3O/c1-34(2)27-14-8-9-15-29(27)38-30-19-18-26(21-28(30)34)33-36-31(23-11-4-3-5-12-23)35-32(37-33)25-17-16-22-10-6-7-13-24(22)20-25/h3-21H,1-2H3.
What are the key properties of 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 491.59 g/mol, XLogP of 8.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163787598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).