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

C54H37N3O — CID 118651128

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5c(-c7ccc(-c8ccccc8)cc7)cccc56)c4)n3)cc21
InChIInChI=1S/C54H37N3O/c1-54(2)47-25-10-9-20-43(47)44-31-30-40(33-48(44)54)53-56-51(37-16-7-4-8-17-37)55-52(57-53)39-19-11-18-38(32-39)42-22-13-24-46-45-23-12-21-41(49(45)58-50(42)46)36-28-26-35(27-29-36)34-14-5-3-6-15-34/h3-33H,1-2H3
InChIKeyJRDSRESKJAJMNZ-UHFFFAOYSA-N
MW743.91 g/mol
LogP14.08
Rot. Bonds6

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

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine (PubChem CID 118651128) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
PubChem CID118651128
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5c(-c7ccc(-c8ccccc8)cc7)cccc56)c4)n3)cc21
InChIInChI=1S/C54H37N3O/c1-54(2)47-25-10-9-20-43(47)44-31-30-40(33-48(44)54)53-56-51(37-16-7-4-8-17-37)55-52(57-53)39-19-11-18-38(32-39)42-22-13-24-46-45-23-12-21-41(49(45)58-50(42)46)36-28-26-35(27-29-36)34-14-5-3-6-15-34/h3-33H,1-2H3
InChIKeyJRDSRESKJAJMNZ-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

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

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Related Compounds

2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine (CID 118651128) is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5c(-c7ccc(-c8ccccc8)cc7)cccc56)c4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The InChIKey is JRDSRESKJAJMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-54(2)47-25-10-9-20-43(47)44-31-30-40(33-48(44)54)53-56-51(37-16-7-4-8-17-37)55-52(57-53)39-19-11-18-38(32-39)42-22-13-24-46-45-23-12-21-41(49(45)58-50(42)46)36-28-26-35(27-29-36)34-14-5-3-6-15-34/h3-33H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-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-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 118651128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).