N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine

C57H46N2O — CID 155421656

IUPACN-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccc(C45CC6CC(CC4C6)C5)cc3)cc2)cc1
InChIInChI=1S/C57H46N2O/c1-3-9-41(10-4-1)42-15-23-48(24-16-42)58(51-29-21-45(22-30-51)57-37-39-33-40(38-57)35-46(57)34-39)49-25-17-43(18-26-49)44-19-27-50(28-20-44)59(47-11-5-2-6-12-47)52-31-32-56-54(36-52)53-13-7-8-14-55(53)60-56/h1-32,36,39-40,46H,33-35,37-38H2
InChIKeyQQOPLLWAUWVQEI-UHFFFAOYSA-N
MW775.01 g/mol
LogP15.94
Rot. Bonds9

About N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine

N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 155421656) has the molecular formula C57H46N2O and a molecular weight of 775.01 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID155421656
Molecular FormulaC57H46N2O
Molecular Weight775.01 g/mol
Exact Mass774.36
IUPAC NameN-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccc(C45CC6CC(CC4C6)C5)cc3)cc2)cc1
InChIInChI=1S/C57H46N2O/c1-3-9-41(10-4-1)42-15-23-48(24-16-42)58(51-29-21-45(22-30-51)57-37-39-33-40(38-57)35-46(57)34-39)49-25-17-43(18-26-49)44-19-27-50(28-20-44)59(47-11-5-2-6-12-47)52-31-32-56-54(36-52)53-13-7-8-14-55(53)60-56/h1-32,36,39-40,46H,33-35,37-38H2
InChIKeyQQOPLLWAUWVQEI-UHFFFAOYSA-N
XLogP15.94
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,7-N,7-N-triphenyl-2-N-[4-[4-(1-tricyclo[3.3.0.03,7]octanyl)phenyl]phenyl]dibenzofuran-2,7-diamine
CID 155421901
2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine
CID 155422006
1-N-[4-(1-adamantyl)phenyl]-3-N-dibenzofuran-3-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421754
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine (CID 155421656) is N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccc(C45CC6CC(CC4C6)C5)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is QQOPLLWAUWVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N2O/c1-3-9-41(10-4-1)42-15-23-48(24-16-42)58(51-29-21-45(22-30-51)57-37-39-33-40(38-57)35-46(57)34-39)49-25-17-43(18-26-49)44-19-27-50(28-20-44)59(47-11-5-2-6-12-47)52-31-32-56-54(36-52)53-13-7-8-14-55(53)60-56/h1-32,36,39-40,46H,33-35,37-38H2.
What are the key properties of N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine?
N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 775.01 g/mol, XLogP of 15.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 155421656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).