N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine

C54H41NO — CID 70808668

IUPACN-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3)cc21
InChIInChI=1S/C54H41NO/c1-53(2)46-21-11-8-17-40(46)42-27-25-34(32-48(42)53)36-29-37(35-26-28-43-41-18-9-12-22-47(41)54(3,4)49(43)33-35)31-39(30-36)55(38-15-6-5-7-16-38)50-23-14-20-45-44-19-10-13-24-51(44)56-52(45)50/h5-33H,1-4H3
InChIKeyLTHPAYIHWHAIFP-UHFFFAOYSA-N
MW719.93 g/mol
LogP15.00
Rot. Bonds5

About N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine

N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 70808668) has the molecular formula C54H41NO and a molecular weight of 719.93 g/mol. Its IUPAC name is N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID70808668
Molecular FormulaC54H41NO
Molecular Weight719.93 g/mol
Exact Mass719.32
IUPAC NameN-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3)cc21
InChIInChI=1S/C54H41NO/c1-53(2)46-21-11-8-17-40(46)42-27-25-34(32-48(42)53)36-29-37(35-26-28-43-41-18-9-12-22-47(41)54(3,4)49(43)33-35)31-39(30-36)55(38-15-6-5-7-16-38)50-23-14-20-45-44-19-10-13-24-51(44)56-52(45)50/h5-33H,1-4H3
InChIKeyLTHPAYIHWHAIFP-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.93
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine
CID 163587007
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine (CID 70808668) is N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3)cc21.
What is the InChIKey of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is LTHPAYIHWHAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO/c1-53(2)46-21-11-8-17-40(46)42-27-25-34(32-48(42)53)36-29-37(35-26-28-43-41-18-9-12-22-47(41)54(3,4)49(43)33-35)31-39(30-36)55(38-15-6-5-7-16-38)50-23-14-20-45-44-19-10-13-24-51(44)56-52(45)50/h5-33H,1-4H3.
What are the key properties of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine?
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 719.93 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 70808668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).