2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine

C57H42N4O2 — CID 171727245

IUPAC2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=NC(c4cccc5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C57H42N4O2/c1-56(2)43-21-9-5-15-35(43)37-29-27-33(31-45(37)56)61(34-28-30-38-36-16-6-10-22-44(36)57(3,4)46(38)32-34)55-59-53(41-19-13-25-49-51(41)39-17-7-11-23-47(39)62-49)58-54(60-55)42-20-14-26-50-52(42)40-18-8-12-24-48(40)63-50/h5-32,53H,1-4H3,(H,58,59,60)
InChIKeyDVTOIFXDQQYBJL-UHFFFAOYSA-N
MW814.99 g/mol
LogP14.34
Rot. Bonds4

About 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine

2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine (PubChem CID 171727245) has the molecular formula C57H42N4O2 and a molecular weight of 814.99 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine
PubChem CID171727245
Molecular FormulaC57H42N4O2
Molecular Weight814.99 g/mol
Exact Mass814.33
IUPAC Name2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=NC(c4cccc5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C57H42N4O2/c1-56(2)43-21-9-5-15-35(43)37-29-27-33(31-45(37)56)61(34-28-30-38-36-16-6-10-22-44(36)57(3,4)46(38)32-34)55-59-53(41-19-13-25-49-51(41)39-17-7-11-23-47(39)62-49)58-54(60-55)42-20-14-26-50-52(42)40-18-8-12-24-48(40)63-50/h5-32,53H,1-4H3,(H,58,59,60)
InChIKeyDVTOIFXDQQYBJL-UHFFFAOYSA-N
XLogP14.34
TPSA66.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 514.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301757
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285674
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine
CID 140917357
N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine
CID 163563984
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176583322
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine
CID 139551229
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine?
The IUPAC name of 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine (CID 171727245) is 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine.
What is the SMILES notation for 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine?
The canonical SMILES for 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine is CC1(C)c2ccccc2-c2ccc(N(C3=NC(c4cccc5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine?
The InChIKey is DVTOIFXDQQYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4O2/c1-56(2)43-21-9-5-15-35(43)37-29-27-33(31-45(37)56)61(34-28-30-38-36-16-6-10-22-44(36)57(3,4)46(38)32-34)55-59-53(41-19-13-25-49-51(41)39-17-7-11-23-47(39)62-49)58-54(60-55)42-20-14-26-50-52(42)40-18-8-12-24-48(40)63-50/h5-32,53H,1-4H3,(H,58,59,60).
What are the key properties of 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine?
2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine has a molecular weight of 814.99 g/mol, XLogP of 14.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine is sourced from PubChem (CID 171727245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).