N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine

C50H31NO2 — CID 171433672

IUPACN-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3oc4c5ccccc5c5ccccc5c4c3c2)cc1
InChIInChI=1S/C50H31NO2/c1-3-14-32(15-4-1)34-30-44-47-41-21-9-7-18-38(41)39-19-8-10-22-42(39)50(47)53-49(44)45(31-34)51(35-16-5-2-6-17-35)36-28-26-33(27-29-36)37-23-13-24-43-40-20-11-12-25-46(40)52-48(37)43/h1-31H
InChIKeyLYZNLDRYRBYHNU-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine

N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine (PubChem CID 171433672) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
PubChem CID171433672
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3oc4c5ccccc5c5ccccc5c4c3c2)cc1
InChIInChI=1S/C50H31NO2/c1-3-14-32(15-4-1)34-30-44-47-41-21-9-7-18-38(41)39-19-8-10-22-42(39)50(47)53-49(44)45(31-34)51(35-16-5-2-6-17-35)36-28-26-33(27-29-36)37-23-13-24-43-40-20-11-12-25-46(40)52-48(37)43/h1-31H
InChIKeyLYZNLDRYRBYHNU-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
CID 168771919
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771989
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N,N-bis(4-naphthalen-1-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771985
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162213494

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine (CID 171433672) is N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine is c1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3oc4c5ccccc5c5ccccc5c4c3c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine?
The InChIKey is LYZNLDRYRBYHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-14-32(15-4-1)34-30-44-47-41-21-9-7-18-38(41)39-19-8-10-22-42(39)50(47)53-49(44)45(31-34)51(35-16-5-2-6-17-35)36-28-26-33(27-29-36)37-23-13-24-43-40-20-11-12-25-46(40)52-48(37)43/h1-31H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine?
N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine is sourced from PubChem (CID 171433672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).