N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C54H33NO2 — CID 171738912

IUPACN-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2c(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-15-35(16-3-1)51-43-23-8-6-20-40(43)41-21-7-9-24-44(41)52(51)36-17-12-18-37(32-36)55(38-29-31-49-46(33-38)42-22-10-11-26-48(42)56-49)47-25-13-27-50-53(47)45-30-28-34-14-4-5-19-39(34)54(45)57-50/h1-33H
InChIKeyCUSYIRBORGVVML-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738912) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738912
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2c(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-15-35(16-3-1)51-43-23-8-6-20-40(43)41-21-7-9-24-44(41)52(51)36-17-12-18-37(32-36)55(38-29-31-49-46(33-38)42-22-10-11-26-48(42)56-49)47-25-13-27-50-53(47)45-30-28-34-14-4-5-19-39(34)54(45)57-50/h1-33H
InChIKeyCUSYIRBORGVVML-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

N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
N-(4-dibenzofuran-3-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738298
N-(4-dibenzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738174
N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739196
N-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738515
N-dibenzothiophen-3-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738987
N-(3-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737741
N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170140586
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 169063637
N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 167329983
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzofuran-2-amine
CID 169062543
N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 134453715

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738912) is N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2c(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is CUSYIRBORGVVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-15-35(16-3-1)51-43-23-8-6-20-40(43)41-21-7-9-24-44(41)52(51)36-17-12-18-37(32-36)55(38-29-31-49-46(33-38)42-22-10-11-26-48(42)56-49)47-25-13-27-50-53(47)45-30-28-34-14-4-5-19-39(34)54(45)57-50/h1-33H.
What are the key properties of N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-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 N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).