1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine

C97H68N2O2 — CID 139541046

IUPAC1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(C4C=CC5=C(C4)C4(c6ccccc65)c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C97H68N2O2/c1-95(2)83-32-12-5-21-71(83)76-51-48-65(57-88(76)95)98(63-44-39-59(40-45-63)69-28-19-30-81-79-26-10-17-37-91(79)100-93(69)81)67-53-62(61-43-50-78-75-25-9-16-36-87(75)97(90(78)55-61)85-34-14-7-23-73(85)74-24-8-15-35-86(74)97)54-68(56-67)99(66-49-52-77-72-22-6-13-33-84(72)96(3,4)89(77)58-66)64-46-41-60(42-47-64)70-29-20-31-82-80-27-11-18-38-92(80)101-94(70)82/h5-54,56-58,61H,55H2,1-4H3
InChIKeyPHZAIYXGAWJZAN-UHFFFAOYSA-N
MW1293.62 g/mol
LogP26.20
Rot. Bonds9

About 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine

1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine (PubChem CID 139541046) has the molecular formula C97H68N2O2 and a molecular weight of 1293.62 g/mol. Its IUPAC name is 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine
PubChem CID139541046
Molecular FormulaC97H68N2O2
Molecular Weight1293.62 g/mol
Exact Mass1292.53
IUPAC Name1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(C4C=CC5=C(C4)C4(c6ccccc65)c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C97H68N2O2/c1-95(2)83-32-12-5-21-71(83)76-51-48-65(57-88(76)95)98(63-44-39-59(40-45-63)69-28-19-30-81-79-26-10-17-37-91(79)100-93(69)81)67-53-62(61-43-50-78-75-25-9-16-36-87(75)97(90(78)55-61)85-34-14-7-23-73(85)74-24-8-15-35-86(74)97)54-68(56-67)99(66-49-52-77-72-22-6-13-33-84(72)96(3,4)89(77)58-66)64-46-41-60(42-47-64)70-29-20-31-82-80-27-11-18-38-92(80)101-94(70)82/h5-54,56-58,61H,55H2,1-4H3
InChIKeyPHZAIYXGAWJZAN-UHFFFAOYSA-N
XLogP26.20
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001293.62
LogP ≤ 526.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
CID 166705641
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123846353
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine (CID 139541046) is 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(C4C=CC5=C(C4)C4(c6ccccc65)c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.
What is the InChIKey of 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine?
The InChIKey is PHZAIYXGAWJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H68N2O2/c1-95(2)83-32-12-5-21-71(83)76-51-48-65(57-88(76)95)98(63-44-39-59(40-45-63)69-28-19-30-81-79-26-10-17-37-91(79)100-93(69)81)67-53-62(61-43-50-78-75-25-9-16-36-87(75)97(90(78)55-61)85-34-14-7-23-73(85)74-24-8-15-35-86(74)97)54-68(56-67)99(66-49-52-77-72-22-6-13-33-84(72)96(3,4)89(77)58-66)64-46-41-60(42-47-64)70-29-20-31-82-80-27-11-18-38-92(80)101-94(70)82/h5-54,56-58,61H,55H2,1-4H3.
What are the key properties of 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine?
1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine has a molecular weight of 1293.62 g/mol, XLogP of 26.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 139541046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).