N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine

C63H49NO — CID 138455866

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc3c(cc21)-c1ccc(N(c2ccc(-c4ccc5c(c4)oc4ccccc45)cc2)c2cccc4c2-c2ccccc2C4(C)C)cc1C3(C)C
InChIInChI=1S/C63H49NO/c1-61(2)51-19-12-10-18-47(51)60-53(61)20-14-21-57(60)64(42-27-23-39(24-28-42)41-25-30-46-45-17-11-13-22-58(45)65-59(46)34-41)43-29-31-44-49-36-56-50(37-55(49)63(5,6)54(44)35-43)48-33-40(38-15-8-7-9-16-38)26-32-52(48)62(56,3)4/h7-37H,1-6H3
InChIKeyZROVMSBMXHXXSD-UHFFFAOYSA-N
MW836.09 g/mol
LogP17.31
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine (PubChem CID 138455866) has the molecular formula C63H49NO and a molecular weight of 836.09 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
PubChem CID138455866
Molecular FormulaC63H49NO
Molecular Weight836.09 g/mol
Exact Mass835.38
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc3c(cc21)-c1ccc(N(c2ccc(-c4ccc5c(c4)oc4ccccc45)cc2)c2cccc4c2-c2ccccc2C4(C)C)cc1C3(C)C
InChIInChI=1S/C63H49NO/c1-61(2)51-19-12-10-18-47(51)60-53(61)20-14-21-57(60)64(42-27-23-39(24-28-42)41-25-30-46-45-17-11-13-22-58(45)65-59(46)34-41)43-29-31-44-49-36-56-50(37-55(49)63(5,6)54(44)35-43)48-33-40(38-15-8-7-9-16-38)26-32-52(48)62(56,3)4/h7-37H,1-6H3
InChIKeyZROVMSBMXHXXSD-UHFFFAOYSA-N
XLogP17.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.09
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine with MolForge

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Related Compounds

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
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293247
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 138462029
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine?
The IUPAC name of 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) is N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc3c(cc21)-c1ccc(N(c2ccc(-c4ccc5c(c4)oc4ccccc45)cc2)c2cccc4c2-c2ccccc2C4(C)C)cc1C3(C)C.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine?
The InChIKey is ZROVMSBMXHXXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49NO/c1-61(2)51-19-12-10-18-47(51)60-53(61)20-14-21-57(60)64(42-27-23-39(24-28-42)41-25-30-46-45-17-11-13-22-58(45)65-59(46)34-41)43-29-31-44-49-36-56-50(37-55(49)63(5,6)54(44)35-43)48-33-40(38-15-8-7-9-16-38)26-32-52(48)62(56,3)4/h7-37H,1-6H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine has a molecular weight of 836.09 g/mol, XLogP of 17.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 138455866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).