N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine

C54H36N4O2 — CID 170383733

IUPACN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc21
InChIInChI=1S/C54H36N4O2/c1-54(2)44-21-11-9-18-38(44)39-28-25-36(31-45(39)54)58(37-26-29-41-40-19-10-12-23-47(40)59-49(41)32-37)46-22-13-20-43-42-27-24-35(30-48(42)60-50(43)46)53-56-51(33-14-5-3-6-15-33)55-52(57-53)34-16-7-4-8-17-34/h3-32H,1-2H3
InChIKeyVJSZMUVBCHMRHC-UHFFFAOYSA-N
MW772.91 g/mol
LogP14.45
Rot. Bonds6

About N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine

N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine (PubChem CID 170383733) has the molecular formula C54H36N4O2 and a molecular weight of 772.91 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
PubChem CID170383733
Molecular FormulaC54H36N4O2
Molecular Weight772.91 g/mol
Exact Mass772.28
IUPAC NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc21
InChIInChI=1S/C54H36N4O2/c1-54(2)44-21-11-9-18-38(44)39-28-25-36(31-45(39)54)58(37-26-29-41-40-19-10-12-23-47(40)59-49(41)32-37)46-22-13-20-43-42-27-24-35(30-48(42)60-50(43)46)53-56-51(33-14-5-3-6-15-33)55-52(57-53)34-16-7-4-8-17-34/h3-32H,1-2H3
InChIKeyVJSZMUVBCHMRHC-UHFFFAOYSA-N
XLogP14.45
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.91
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096050
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167402082
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050377
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731488
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 163785140

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine (CID 170383733) is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc21.
What is the InChIKey of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine?
The InChIKey is VJSZMUVBCHMRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O2/c1-54(2)44-21-11-9-18-38(44)39-28-25-36(31-45(39)54)58(37-26-29-41-40-19-10-12-23-47(40)59-49(41)32-37)46-22-13-20-43-42-27-24-35(30-48(42)60-50(43)46)53-56-51(33-14-5-3-6-15-33)55-52(57-53)34-16-7-4-8-17-34/h3-32H,1-2H3.
What are the key properties of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine?
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine has a molecular weight of 772.91 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 170383733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).