N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine

C60H47NO — CID 167056493

IUPACN-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CC6CCC7CC8CC5C86C7)cc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H47NO/c1-2-9-39(10-3-1)41-22-27-46(28-23-41)61(48-31-32-51-50-11-5-7-16-55(50)62-56(51)35-48)47-29-24-42(25-30-47)40-18-20-43(21-19-40)49-13-8-15-54-58(49)52-12-4-6-14-53(52)60(54)37-44-26-17-38-33-45-34-57(60)59(44,45)36-38/h1-16,18-25,27-32,35,38,44-45,57H,17,26,33-34,36-37H2
InChIKeyYMULLLUNYQSLOV-UHFFFAOYSA-N
MW798.04 g/mol
LogP16.17
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine

N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167056493) has the molecular formula C60H47NO and a molecular weight of 798.04 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167056493
Molecular FormulaC60H47NO
Molecular Weight798.04 g/mol
Exact Mass797.37
IUPAC NameN-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CC6CCC7CC8CC5C86C7)cc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H47NO/c1-2-9-39(10-3-1)41-22-27-46(28-23-41)61(48-31-32-51-50-11-5-7-16-55(50)62-56(51)35-48)47-29-24-42(25-30-47)40-18-20-43(21-19-40)49-13-8-15-54-58(49)52-12-4-6-14-53(52)60(54)37-44-26-17-38-33-45-34-57(60)59(44,45)36-38/h1-16,18-25,27-32,35,38,44-45,57H,17,26,33-34,36-37H2
InChIKeyYMULLLUNYQSLOV-UHFFFAOYSA-N
XLogP16.17
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.04
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508488
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771779
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
CID 155394000
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 169028650
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
CID 170085152
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine (CID 167056493) is N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CC6CCC7CC8CC5C86C7)cc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is YMULLLUNYQSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47NO/c1-2-9-39(10-3-1)41-22-27-46(28-23-41)61(48-31-32-51-50-11-5-7-16-55(50)62-56(51)35-48)47-29-24-42(25-30-47)40-18-20-43(21-19-40)49-13-8-15-54-58(49)52-12-4-6-14-53(52)60(54)37-44-26-17-38-33-45-34-57(60)59(44,45)36-38/h1-16,18-25,27-32,35,38,44-45,57H,17,26,33-34,36-37H2.
What are the key properties of N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine?
N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 798.04 g/mol, XLogP of 16.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167056493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).