N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine

C48H43NO — CID 178036941

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
SMILESCC1(C)CC2(CC(C)(C)c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4-c4ccccc4C5(C)C)ccc32)c2ccccc21
InChIInChI=1S/C48H43NO/c1-45(2)28-48(37-18-11-10-17-36(37)45)29-46(3,4)40-26-30(23-25-38(40)48)49(31-22-24-33-32-14-8-12-21-42(32)50-43(33)27-31)41-20-13-19-39-44(41)34-15-7-9-16-35(34)47(39,5)6/h7-27H,28-29H2,1-6H3
InChIKeyUSDNIUPOEDWZPT-UHFFFAOYSA-N
MW649.88 g/mol
LogP13.01
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine

N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine (PubChem CID 178036941) has the molecular formula C48H43NO and a molecular weight of 649.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
PubChem CID178036941
Molecular FormulaC48H43NO
Molecular Weight649.88 g/mol
Exact Mass649.33
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
SMILESCC1(C)CC2(CC(C)(C)c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4-c4ccccc4C5(C)C)ccc32)c2ccccc21
InChIInChI=1S/C48H43NO/c1-45(2)28-48(37-18-11-10-17-36(37)45)29-46(3,4)40-26-30(23-25-38(40)48)49(31-22-24-33-32-14-8-12-21-42(32)50-43(33)27-31)41-20-13-19-39-44(41)34-15-7-9-16-35(34)47(39,5)6/h7-27H,28-29H2,1-6H3
InChIKeyUSDNIUPOEDWZPT-UHFFFAOYSA-N
XLogP13.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.88
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine
CID 178037014
N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
CID 178036901
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-chrysen-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 170139265
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585
[4-[dibenzofuran-2-yl-[22-[dibenzofuran-2-yl-(9,9-dimethylfluoren-4-yl)amino]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaen-8-yl]amino]-9-methylfluoren-9-yl]methanethiol
CID 170236511
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine (CID 178036941) is N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine is CC1(C)CC2(CC(C)(C)c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4-c4ccccc4C5(C)C)ccc32)c2ccccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
The InChIKey is USDNIUPOEDWZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43NO/c1-45(2)28-48(37-18-11-10-17-36(37)45)29-46(3,4)40-26-30(23-25-38(40)48)49(31-22-24-33-32-14-8-12-21-42(32)50-43(33)27-31)41-20-13-19-39-44(41)34-15-7-9-16-35(34)47(39,5)6/h7-27H,28-29H2,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine has a molecular weight of 649.88 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine is sourced from PubChem (CID 178036941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).