N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine

C56H41NO — CID 165165088

IUPACN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C56H41NO/c1-5-13-50-43(9-1)44-10-2-6-14-51(44)56(50)52-15-7-3-11-45(52)48-33-41(27-29-53(48)56)57(42-28-30-55-49(34-42)46-12-4-8-16-54(46)58-55)40-25-23-37(24-26-40)36-19-21-38(22-20-36)47-32-35-17-18-39(47)31-35/h1-16,19-30,33-35,39,47H,17-18,31-32H2
InChIKeyQNZUHYFQRQFERX-UHFFFAOYSA-N
MW743.95 g/mol
LogP14.97
Rot. Bonds5

About N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine

N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine (PubChem CID 165165088) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
PubChem CID165165088
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C56H41NO/c1-5-13-50-43(9-1)44-10-2-6-14-51(44)56(50)52-15-7-3-11-45(52)48-33-41(27-29-53(48)56)57(42-28-30-55-49(34-42)46-12-4-8-16-54(46)58-55)40-25-23-37(24-26-40)36-19-21-38(22-20-36)47-32-35-17-18-39(47)31-35/h1-16,19-30,33-35,39,47H,17-18,31-32H2
InChIKeyQNZUHYFQRQFERX-UHFFFAOYSA-N
XLogP14.97
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165071
N-[4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 165165116
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-5,5-dimethyldibenzothiophen-2-amine
CID 174327868
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
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
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771779
N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176759825
10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284197
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
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 170543221
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
The IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine (CID 165165088) is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
The InChIKey is QNZUHYFQRQFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-5-13-50-43(9-1)44-10-2-6-14-51(44)56(50)52-15-7-3-11-45(52)48-33-41(27-29-53(48)56)57(42-28-30-55-49(34-42)46-12-4-8-16-54(46)58-55)40-25-23-37(24-26-40)36-19-21-38(22-20-36)47-32-35-17-18-39(47)31-35/h1-16,19-30,33-35,39,47H,17-18,31-32H2.
What are the key properties of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine has a molecular weight of 743.95 g/mol, XLogP of 14.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine is sourced from PubChem (CID 165165088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).