2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine

C43H35N3 — CID 163742592

IUPAC2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2-c2cccc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C43H35N3/c1-42(2)37-25-24-33(27-36(37)35-21-13-20-34(38(35)43(42,3)4)29-15-7-5-8-16-29)41-45-39(30-17-9-6-10-18-30)44-40(46-41)32-23-22-28-14-11-12-19-31(28)26-32/h5-27H,1-4H3
InChIKeyLJBOYNASEZNESW-UHFFFAOYSA-N
MW593.77 g/mol
LogP10.93
Rot. Bonds4

About 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine (PubChem CID 163742592) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine
PubChem CID163742592
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2-c2cccc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C43H35N3/c1-42(2)37-25-24-33(27-36(37)35-21-13-20-34(38(35)43(42,3)4)29-15-7-5-8-16-29)41-45-39(30-17-9-6-10-18-30)44-40(46-41)32-23-22-28-14-11-12-19-31(28)26-32/h5-27H,1-4H3
InChIKeyLJBOYNASEZNESW-UHFFFAOYSA-N
XLogP10.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163822142
2,4-diphenyl-6-[3-(5,5,6,6-tetramethylpicen-2-yl)phenyl]-1,3,5-triazine
CID 163918650
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline
CID 163651714
2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
CID 163660771
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613745
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 153302549
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2,4-diphenyl-6-[4-(9,9,10,10-tetramethylphenanthren-1-yl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[2-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]-1,3,5-triazine
CID 163876078
2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazine
CID 163702512

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine (CID 163742592) is 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine is CC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2-c2cccc(-c3ccccc3)c2C1(C)C.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine?
The InChIKey is LJBOYNASEZNESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-42(2)37-25-24-33(27-36(37)35-21-13-20-34(38(35)43(42,3)4)29-15-7-5-8-16-29)41-45-39(30-17-9-6-10-18-30)44-40(46-41)32-23-22-28-14-11-12-19-31(28)26-32/h5-27H,1-4H3.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine has a molecular weight of 593.77 g/mol, XLogP of 10.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine is sourced from PubChem (CID 163742592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).