2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine

C41H33N3 — CID 163822142

IUPAC2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)c2C1(C)C
InChIInChI=1S/C41H33N3/c1-40(2)35-20-11-10-17-32(35)33-18-12-19-34(36(33)41(40,3)4)39-43-37(27-14-6-5-7-15-27)42-38(44-39)29-23-24-31-28(25-29)22-21-26-13-8-9-16-30(26)31/h5-25H,1-4H3
InChIKeyTWNJTHQVMDZXCW-UHFFFAOYSA-N
MW567.74 g/mol
LogP10.41
Rot. Bonds3

About 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine

2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine (PubChem CID 163822142) has the molecular formula C41H33N3 and a molecular weight of 567.74 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
PubChem CID163822142
Molecular FormulaC41H33N3
Molecular Weight567.74 g/mol
Exact Mass567.27
IUPAC Name2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)c2C1(C)C
InChIInChI=1S/C41H33N3/c1-40(2)35-20-11-10-17-32(35)33-18-12-19-34(36(33)41(40,3)4)39-43-37(27-14-6-5-7-15-27)42-38(44-39)29-23-24-31-28(25-29)22-21-26-13-8-9-16-30(26)31/h5-25H,1-4H3
InChIKeyTWNJTHQVMDZXCW-UHFFFAOYSA-N
XLogP10.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazine
CID 163702512
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163671940
2-chrysen-3-yl-4-phenyl-6-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazine
CID 170259799
2,4-diphenyl-6-[3-(5,5,6,6-tetramethylpicen-2-yl)phenyl]-1,3,5-triazine
CID 163918650
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-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163742592
2-phenanthren-2-yl-4-phenyl-6-(6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-1,3,5-triazine
CID 164979469
2-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazine
CID 167087370
2-[2-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-di(phenanthren-2-yl)-1,3,5-triazine
CID 118426887
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-picen-1-yl-1,3,5-triazine
CID 167087730
2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 167686287
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465824

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
The IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine (CID 163822142) is 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)c2C1(C)C.
What is the InChIKey of 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
The InChIKey is TWNJTHQVMDZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N3/c1-40(2)35-20-11-10-17-32(35)33-18-12-19-34(36(33)41(40,3)4)39-43-37(27-14-6-5-7-15-27)42-38(44-39)29-23-24-31-28(25-29)22-21-26-13-8-9-16-30(26)31/h5-25H,1-4H3.
What are the key properties of 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine has a molecular weight of 567.74 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163822142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).