N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

C62H39NO — CID 121423669

IUPACN-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C62H39NO/c1-3-17-40(18-4-1)61(41-19-5-2-6-20-41)53-26-12-10-24-48(53)51-37-42(32-35-57(51)61)63(43-33-36-60-52(38-43)50-25-11-16-30-59(50)64-60)44-31-34-49-47-23-9-15-29-56(47)62(58(49)39-44)54-27-13-7-21-45(54)46-22-8-14-28-55(46)62/h1-39H
InChIKeySGKIHZAVPZUJQX-UHFFFAOYSA-N
MW814.00 g/mol
LogP15.76
Rot. Bonds5

About N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (PubChem CID 121423669) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
PubChem CID121423669
Molecular FormulaC62H39NO
Molecular Weight814.00 g/mol
Exact Mass813.30
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C62H39NO/c1-3-17-40(18-4-1)61(41-19-5-2-6-20-41)53-26-12-10-24-48(53)51-37-42(32-35-57(51)61)63(43-33-36-60-52(38-43)50-25-11-16-30-59(50)64-60)44-31-34-49-47-23-9-15-29-56(47)62(58(49)39-44)54-27-13-7-21-45(54)46-22-8-14-28-55(46)62/h1-39H
InChIKeySGKIHZAVPZUJQX-UHFFFAOYSA-N
XLogP15.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-dibenzofuran-2-yl-N-(4-phenylphenyl)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]-10'-amine
CID 130463127
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (CID 121423669) is N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The InChIKey is SGKIHZAVPZUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-3-17-40(18-4-1)61(41-19-5-2-6-20-41)53-26-12-10-24-48(53)51-37-42(32-35-57(51)61)63(43-33-36-60-52(38-43)50-25-11-16-30-59(50)64-60)44-31-34-49-47-23-9-15-29-56(47)62(58(49)39-44)54-27-13-7-21-45(54)46-22-8-14-28-55(46)62/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine has a molecular weight of 814.00 g/mol, XLogP of 15.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 121423669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).