N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline

C62H41NO — CID 167236002

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline
SMILESc1ccc(-c2ccc(N(Cc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-2-13-42(14-3-1)43-29-34-47(35-30-43)63(48-36-31-45(32-37-48)49-19-12-20-55-54-18-7-11-24-60(54)64-61(49)55)40-41-25-27-44(28-26-41)46-33-38-53-52-17-6-10-23-58(52)62(59(53)39-46)56-21-8-4-15-50(56)51-16-5-9-22-57(51)62/h1-39H,40H2
InChIKeySIBGTDQAYAJCCF-UHFFFAOYSA-N
MW816.02 g/mol
LogP16.27
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline (PubChem CID 167236002) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline
PubChem CID167236002
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline
SMILESc1ccc(-c2ccc(N(Cc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-2-13-42(14-3-1)43-29-34-47(35-30-43)63(48-36-31-45(32-37-48)49-19-12-20-55-54-18-7-11-24-60(54)64-61(49)55)40-41-25-27-44(28-26-41)46-33-38-53-52-17-6-10-23-58(52)62(59(53)39-46)56-21-8-4-15-50(56)51-16-5-9-22-57(51)62/h1-39H,40H2
InChIKeySIBGTDQAYAJCCF-UHFFFAOYSA-N
XLogP16.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168805215
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 158506303
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168805359
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline (CID 167236002) is N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline is c1ccc(-c2ccc(N(Cc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline?
The InChIKey is SIBGTDQAYAJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-2-13-42(14-3-1)43-29-34-47(35-30-43)63(48-36-31-45(32-37-48)49-19-12-20-55-54-18-7-11-24-60(54)64-61(49)55)40-41-25-27-44(28-26-41)46-33-38-53-52-17-6-10-23-58(52)62(59(53)39-46)56-21-8-4-15-50(56)51-16-5-9-22-57(51)62/h1-39H,40H2.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline has a molecular weight of 816.02 g/mol, XLogP of 16.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline is sourced from PubChem (CID 167236002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).