N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C63H49NO — CID 167285674

IUPACN-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C63H49NO/c1-61(2)50-26-11-7-18-40(50)43-34-32-38(36-53(43)61)64(39-33-35-44-41-19-8-12-27-51(41)62(3,4)54(44)37-39)55-29-16-22-45(47-24-15-23-46-42-20-9-13-28-52(42)63(5,6)60(46)47)58(55)49-25-17-31-57-59(49)48-21-10-14-30-56(48)65-57/h7-37H,1-6H3
InChIKeyVFPLKFAJRCCQQY-UHFFFAOYSA-N
MW836.09 g/mol
LogP17.31
Rot. Bonds5

About N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 167285674) has the molecular formula C63H49NO and a molecular weight of 836.09 g/mol. Its IUPAC name is N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID167285674
Molecular FormulaC63H49NO
Molecular Weight836.09 g/mol
Exact Mass835.38
IUPAC NameN-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C63H49NO/c1-61(2)50-26-11-7-18-40(50)43-34-32-38(36-53(43)61)64(39-33-35-44-41-19-8-12-27-51(41)62(3,4)54(44)37-39)55-29-16-22-45(47-24-15-23-46-42-20-9-13-28-52(42)63(5,6)60(46)47)58(55)49-25-17-31-57-59(49)48-21-10-14-30-56(48)65-57/h7-37H,1-6H3
InChIKeyVFPLKFAJRCCQQY-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

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Related Compounds

N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301757
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-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176583322
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-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline
CID 170217743
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-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
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

Frequently Asked Questions

What is the IUPAC name of N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 167285674) is N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is VFPLKFAJRCCQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49NO/c1-61(2)50-26-11-7-18-40(50)43-34-32-38(36-53(43)61)64(39-33-35-44-41-19-8-12-27-51(41)62(3,4)54(44)37-39)55-29-16-22-45(47-24-15-23-46-42-20-9-13-28-52(42)63(5,6)60(46)47)58(55)49-25-17-31-57-59(49)48-21-10-14-30-56(48)65-57/h7-37H,1-6H3.
What are the key properties of N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 167285674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).