2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine

C48H35N3O — CID 167349804

IUPAC2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4cccc5c4OC4C=CC=CC54)n3)c21
InChIInChI=1S/C48H35N3O/c1-48(2)41-25-11-9-19-33(41)35-21-13-23-38(43(35)48)46-49-45(50-47(51-46)39-24-14-22-36-34-20-10-12-26-42(34)52-44(36)39)37-28-27-32(30-15-5-3-6-16-30)29-40(37)31-17-7-4-8-18-31/h3-29,34,42H,1-2H3
InChIKeyZZMKYOWDYALGLS-UHFFFAOYSA-N
MW669.83 g/mol
LogP11.48
Rot. Bonds5

About 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine

2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine (PubChem CID 167349804) has the molecular formula C48H35N3O and a molecular weight of 669.83 g/mol. Its IUPAC name is 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
PubChem CID167349804
Molecular FormulaC48H35N3O
Molecular Weight669.83 g/mol
Exact Mass669.28
IUPAC Name2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4cccc5c4OC4C=CC=CC54)n3)c21
InChIInChI=1S/C48H35N3O/c1-48(2)41-25-11-9-19-33(41)35-21-13-23-38(43(35)48)46-49-45(50-47(51-46)39-24-14-22-36-34-20-10-12-26-42(34)52-44(36)39)37-28-27-32(30-15-5-3-6-16-30)29-40(37)31-17-7-4-8-18-31/h3-29,34,42H,1-2H3
InChIKeyZZMKYOWDYALGLS-UHFFFAOYSA-N
XLogP11.48
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167349749
9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135277301
2-[3-(7,7-dimethyl-4a,13a-dihydroxantheno[5,6-b][1]benzofuran-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138509772
2-(9,9-dimethylfluoren-1-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170681149
2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 126544505
N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 144554234
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
2-(9,9-dimethylfluoren-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 126544515
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536

Frequently Asked Questions

What is the IUPAC name of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine (CID 167349804) is 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4cccc5c4OC4C=CC=CC54)n3)c21.
What is the InChIKey of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The InChIKey is ZZMKYOWDYALGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3O/c1-48(2)41-25-11-9-19-33(41)35-21-13-23-38(43(35)48)46-49-45(50-47(51-46)39-24-14-22-36-34-20-10-12-26-42(34)52-44(36)39)37-28-27-32(30-15-5-3-6-16-30)29-40(37)31-17-7-4-8-18-31/h3-29,34,42H,1-2H3.
What are the key properties of 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine has a molecular weight of 669.83 g/mol, XLogP of 11.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167349804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).