6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

C54H33NO2 — CID 169296238

IUPAC6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)c5ccccc5cc34)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H33NO2/c1-2-13-34(14-3-1)35-25-27-38(28-26-35)55(49-32-37-16-4-6-17-40(37)42-19-8-9-20-43(42)49)39-29-30-45-48-31-36-15-5-7-18-41(36)52(54(48)57-51(45)33-39)47-23-12-22-46-44-21-10-11-24-50(44)56-53(46)47/h1-33H
InChIKeyRLCNWSAHDWHQHP-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169296238) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169296238
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC Name6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)c5ccccc5cc34)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H33NO2/c1-2-13-34(14-3-1)35-25-27-38(28-26-35)55(49-32-37-16-4-6-17-40(37)42-19-8-9-20-43(42)49)39-29-30-45-48-31-36-15-5-7-18-41(36)52(54(48)57-51(45)33-39)47-23-12-22-46-44-21-10-11-24-50(44)56-53(46)47/h1-33H
InChIKeyRLCNWSAHDWHQHP-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296391
N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295898
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 170134082
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134121
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 170133889
N-[4-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 171754709

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169296238) is 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)c5ccccc5cc34)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is RLCNWSAHDWHQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-13-34(14-3-1)35-25-27-38(28-26-35)55(49-32-37-16-4-6-17-40(37)42-19-8-9-20-43(42)49)39-29-30-45-48-31-36-15-5-7-18-41(36)52(54(48)57-51(45)33-39)47-23-12-22-46-44-21-10-11-24-50(44)56-53(46)47/h1-33H.
What are the key properties of 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 727.86 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169296238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).