2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C52H45N3 — CID 166017889

IUPAC2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C52H45N3/c1-51(2)44-15-9-10-16-46(44)52(42-28-33-27-34(30-42)31-43(52)29-33)47-32-41(25-26-45(47)51)50-54-48(39-21-17-37(18-22-39)35-11-5-3-6-12-35)53-49(55-50)40-23-19-38(20-24-40)36-13-7-4-8-14-36/h3-26,32-34,42-43H,27-31H2,1-2H3
InChIKeyAYWJCDXLUQZLON-UHFFFAOYSA-N
MW711.95 g/mol
LogP12.59
Rot. Bonds5

About 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166017889) has the molecular formula C52H45N3 and a molecular weight of 711.95 g/mol. Its IUPAC name is 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID166017889
Molecular FormulaC52H45N3
Molecular Weight711.95 g/mol
Exact Mass711.36
IUPAC Name2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C52H45N3/c1-51(2)44-15-9-10-16-46(44)52(42-28-33-27-34(30-42)31-43(52)29-33)47-32-41(25-26-45(47)51)50-54-48(39-21-17-37(18-22-39)35-11-5-3-6-12-35)53-49(55-50)40-23-19-38(20-24-40)36-13-7-4-8-14-36/h3-26,32-34,42-43H,27-31H2,1-2H3
InChIKeyAYWJCDXLUQZLON-UHFFFAOYSA-N
XLogP12.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.95
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine
CID 166018192
2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166017953
2-[3-[4-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166017826
2-[3-[3-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166018181
2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166017794
2-[3-(9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 166017797
2-dibenzofuran-3-yl-4-[6-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166017952
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
2-phenyl-4-(4-phenylphenyl)-6-spiro[adamantane-2,9'-xanthene]-2'-yl-1,3,5-triazine
CID 166017775
2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-2'-yl-1,3,5-triazine
CID 156561346
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353704
2-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168803912

Frequently Asked Questions

What is the IUPAC name of 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 166017889) is 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2C2(c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc31)C1CC3CC(C1)CC2C3.
What is the InChIKey of 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is AYWJCDXLUQZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45N3/c1-51(2)44-15-9-10-16-46(44)52(42-28-33-27-34(30-42)31-43(52)29-33)47-32-41(25-26-45(47)51)50-54-48(39-21-17-37(18-22-39)35-11-5-3-6-12-35)53-49(55-50)40-23-19-38(20-24-40)36-13-7-4-8-14-36/h3-26,32-34,42-43H,27-31H2,1-2H3.
What are the key properties of 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 711.95 g/mol, XLogP of 12.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166017889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).