2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine

C45H37N3 — CID 163660771

IUPAC2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C1(C)C
InChIInChI=1S/C45H37N3/c1-44(2)39-26-24-33(30-16-8-5-9-17-30)28-37(39)38-29-34(25-27-40(38)45(44,3)4)35-22-14-15-23-36(35)43-47-41(31-18-10-6-11-19-31)46-42(48-43)32-20-12-7-13-21-32/h5-29H,1-4H3
InChIKeyIUEQQRPYGMTOLV-UHFFFAOYSA-N
MW619.81 g/mol
LogP11.44
Rot. Bonds5

About 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine (PubChem CID 163660771) has the molecular formula C45H37N3 and a molecular weight of 619.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
PubChem CID163660771
Molecular FormulaC45H37N3
Molecular Weight619.81 g/mol
Exact Mass619.30
IUPAC Name2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C1(C)C
InChIInChI=1S/C45H37N3/c1-44(2)39-26-24-33(30-16-8-5-9-17-30)28-37(39)38-29-34(25-27-40(38)45(44,3)4)35-22-14-15-23-36(35)43-47-41(31-18-10-6-11-19-31)46-42(48-43)32-20-12-7-13-21-32/h5-29H,1-4H3
InChIKeyIUEQQRPYGMTOLV-UHFFFAOYSA-N
XLogP11.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 163623400
2-dibenzofuran-1-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163459685
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163803074
9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259852
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine (CID 163660771) is 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C1(C)C.
What is the InChIKey of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is IUEQQRPYGMTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N3/c1-44(2)39-26-24-33(30-16-8-5-9-17-30)28-37(39)38-29-34(25-27-40(38)45(44,3)4)35-22-14-15-23-36(35)43-47-41(31-18-10-6-11-19-31)46-42(48-43)32-20-12-7-13-21-32/h5-29H,1-4H3.
What are the key properties of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine has a molecular weight of 619.81 g/mol, XLogP of 11.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 163660771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).