2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C54H37N3O — CID 121244814

IUPAC2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc(-c6ccccc6)cc5c4c3)cc21
InChIInChI=1S/C54H37N3O/c1-54(2)47-24-13-12-23-42(47)43-27-25-38(33-48(43)54)37-26-28-49-45(30-37)46-32-41(34-15-6-3-7-16-34)31-44(50(46)58-49)39-21-14-22-40(29-39)53-56-51(35-17-8-4-9-18-35)55-52(57-53)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyAYYSTCTVFYRODS-UHFFFAOYSA-N
MW743.91 g/mol
LogP14.08
Rot. Bonds6

About 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 121244814) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID121244814
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc(-c6ccccc6)cc5c4c3)cc21
InChIInChI=1S/C54H37N3O/c1-54(2)47-24-13-12-23-42(47)43-27-25-38(33-48(43)54)37-26-28-49-45(30-37)46-32-41(34-15-6-3-7-16-34)31-44(50(46)58-49)39-21-14-22-40(29-39)53-56-51(35-17-8-4-9-18-35)55-52(57-53)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyAYYSTCTVFYRODS-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167424106
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2,6-diphenylpyridine;4-[4-(9,9-dimethyl-6-naphthalen-1-ylfluoren-2-yl)phenyl]dibenzofuran;2-[9,9-dimethyl-7-(6-phenyldibenzofuran-2-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159282220
6,18-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;4-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-2,6-diphenylpyrimidine;4-[3-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2,6-diphenylpyrimidine;4-[18-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-2,6-diphenylpyrimidine;12-phenyl-8,16-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 158609089
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 121244814) is 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc(-c6ccccc6)cc5c4c3)cc21.
What is the InChIKey of 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AYYSTCTVFYRODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-54(2)47-24-13-12-23-42(47)43-27-25-38(33-48(43)54)37-26-28-49-45(30-37)46-32-41(34-15-6-3-7-16-34)31-44(50(46)58-49)39-21-14-22-40(29-39)53-56-51(35-17-8-4-9-18-35)55-52(57-53)36-19-10-5-11-20-36/h3-33H,1-2H3.
What are the key properties of 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 743.91 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 121244814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).