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

C45H31NO2 — CID 176607735

IUPACN-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5oc6ccccc6c45)c23)c([2H])c1[2H]
InChIInChI=1S/C45H31NO2/c1-45(2)35-19-8-6-15-31(35)32-26-25-29(27-36(32)45)46(37-20-11-23-40-42(37)33-16-7-9-22-39(33)47-40)38-21-12-24-41-43(38)34-18-10-17-30(44(34)48-41)28-13-4-3-5-14-28/h3-27H,1-2H3/i3D,4D,5D,13D,14D
InChIKeyVAONBMYKZNZJHZ-OSAFIOQKSA-N
MW622.78 g/mol
LogP12.93
Rot. Bonds4

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

N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine (PubChem CID 176607735) has the molecular formula C45H31NO2 and a molecular weight of 622.78 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine
PubChem CID176607735
Molecular FormulaC45H31NO2
Molecular Weight622.78 g/mol
Exact Mass622.27
IUPAC NameN-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5oc6ccccc6c45)c23)c([2H])c1[2H]
InChIInChI=1S/C45H31NO2/c1-45(2)35-19-8-6-15-31(35)32-26-25-29(27-36(32)45)46(37-20-11-23-40-42(37)33-16-7-9-22-39(33)47-40)38-21-12-24-41-43(38)34-18-10-17-30(44(34)48-41)28-13-4-3-5-14-28/h3-27H,1-2H3/i3D,4D,5D,13D,14D
InChIKeyVAONBMYKZNZJHZ-OSAFIOQKSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.78
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
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
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine
CID 171452477
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-dibenzofuran-1-yl-18,18,21,21-tetramethyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 155458139
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-amine
CID 170353038
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463071
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine (CID 176607735) is N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine is [2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5oc6ccccc6c45)c23)c([2H])c1[2H].
What is the InChIKey of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine?
The InChIKey is VAONBMYKZNZJHZ-OSAFIOQKSA-N. The full InChI is InChI=1S/C45H31NO2/c1-45(2)35-19-8-6-15-31(35)32-26-25-29(27-36(32)45)46(37-20-11-23-40-42(37)33-16-7-9-22-39(33)47-40)38-21-12-24-41-43(38)34-18-10-17-30(44(34)48-41)28-13-4-3-5-14-28/h3-27H,1-2H3/i3D,4D,5D,13D,14D.
What are the key properties of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine has a molecular weight of 622.78 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176607735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).