N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine

C54H33NO2 — CID 155303930

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc3oc4ccccc4c3c2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C54H33NO2/c1-2-18-38-34(14-1)15-12-26-44(38)52-45-23-5-3-19-40(45)41-20-4-6-24-46(41)53(52)55(37-30-31-51-48(33-37)43-22-8-9-28-49(43)56-51)36-17-11-16-35(32-36)39-25-13-27-47-42-21-7-10-29-50(42)57-54(39)47/h1-33H
InChIKeyLEJCLWRSYGOLND-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine (PubChem CID 155303930) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
PubChem CID155303930
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc3oc4ccccc4c3c2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C54H33NO2/c1-2-18-38-34(14-1)15-12-26-44(38)52-45-23-5-3-19-40(45)41-20-4-6-24-46(41)53(52)55(37-30-31-51-48(33-37)43-22-8-9-28-49(43)56-51)36-17-11-16-35(32-36)39-25-13-27-47-42-21-7-10-29-50(42)57-54(39)47/h1-33H
InChIKeyLEJCLWRSYGOLND-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-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155305510
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304965
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155304633
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine (CID 155303930) is N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc3oc4ccccc4c3c2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
The InChIKey is LEJCLWRSYGOLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-18-38-34(14-1)15-12-26-44(38)52-45-23-5-3-19-40(45)41-20-4-6-24-46(41)53(52)55(37-30-31-51-48(33-37)43-22-8-9-28-49(43)56-51)36-17-11-16-35(32-36)39-25-13-27-47-42-21-7-10-29-50(42)57-54(39)47/h1-33H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-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-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine is sourced from PubChem (CID 155303930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).