2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine

C56H39N3O — CID 140946329

IUPAC2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccc(-c8ccc9c(c8)-c8ccccc8CC9)cc7c56)cc4)n3)cc21
InChIInChI=1S/C56H39N3O/c1-56(2)48-17-9-8-15-44(48)45-29-27-41(33-49(45)56)55-58-53(37-12-4-3-5-13-37)57-54(59-55)38-24-21-35(22-25-38)43-16-10-18-51-52(43)47-32-40(28-30-50(47)60-51)39-26-23-36-20-19-34-11-6-7-14-42(34)46(36)31-39/h3-18,21-33H,19-20H2,1-2H3
InChIKeyVAVXBJSBXNSXQK-UHFFFAOYSA-N
MW769.95 g/mol
LogP14.18
Rot. Bonds5

About 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine

2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 140946329) has the molecular formula C56H39N3O and a molecular weight of 769.95 g/mol. Its IUPAC name is 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID140946329
Molecular FormulaC56H39N3O
Molecular Weight769.95 g/mol
Exact Mass769.31
IUPAC Name2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccc(-c8ccc9c(c8)-c8ccccc8CC9)cc7c56)cc4)n3)cc21
InChIInChI=1S/C56H39N3O/c1-56(2)48-17-9-8-15-44(48)45-29-27-41(33-49(45)56)55-58-53(37-12-4-3-5-13-37)57-54(59-55)38-24-21-35(22-25-38)43-16-10-18-51-52(43)47-32-40(28-30-50(47)60-51)39-26-23-36-20-19-34-11-6-7-14-42(34)46(36)31-39/h3-18,21-33H,19-20H2,1-2H3
InChIKeyVAVXBJSBXNSXQK-UHFFFAOYSA-N
XLogP14.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.95
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369396
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946336
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217923
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159068873
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140907356

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (CID 140946329) is 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccc(-c8ccc9c(c8)-c8ccccc8CC9)cc7c56)cc4)n3)cc21.
What is the InChIKey of 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is VAVXBJSBXNSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3O/c1-56(2)48-17-9-8-15-44(48)45-29-27-41(33-49(45)56)55-58-53(37-12-4-3-5-13-37)57-54(59-55)38-24-21-35(22-25-38)43-16-10-18-51-52(43)47-32-40(28-30-50(47)60-51)39-26-23-36-20-19-34-11-6-7-14-42(34)46(36)31-39/h3-18,21-33H,19-20H2,1-2H3.
What are the key properties of 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 769.95 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 140946329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).