N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine

C50H31NO2 — CID 176766371

IUPACN-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5cc6oc7ccccc7c6cc5c4c3)cc2-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C50H31NO2/c1-3-11-32(12-4-1)39-25-24-38(30-43(39)34-22-26-49-45(27-34)40-15-7-9-17-47(40)52-49)51(36-13-5-2-6-14-36)37-23-21-33-19-20-35-28-50-46(31-44(35)42(33)29-37)41-16-8-10-18-48(41)53-50/h1-31H
InChIKeyMFTZFMRLPIHPRZ-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine

N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine (PubChem CID 176766371) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
PubChem CID176766371
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5cc6oc7ccccc7c6cc5c4c3)cc2-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C50H31NO2/c1-3-11-32(12-4-1)39-25-24-38(30-43(39)34-22-26-49-45(27-34)40-15-7-9-17-47(40)52-49)51(36-13-5-2-6-14-36)37-23-21-33-19-20-35-28-50-46(31-44(35)42(33)29-37)41-16-8-10-18-48(41)53-50/h1-31H
InChIKeyMFTZFMRLPIHPRZ-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'}

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Related Compounds

N-[4-(3,4-diphenylphenyl)-3-phenylphenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766295
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766345
N-[4-(2,4-diphenylphenyl)phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766273
N-phenyl-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779110
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 171607675
N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 177081030
N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 171607647
3-N-dibenzofuran-2-yl-3-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-1-N-phenyl-1-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779522
1-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-1-N,3-N-diphenyl-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779603
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The IUPAC name of N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine (CID 176766371) is N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The canonical SMILES for N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5cc6oc7ccccc7c6cc5c4c3)cc2-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The InChIKey is MFTZFMRLPIHPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-11-32(12-4-1)39-25-24-38(30-43(39)34-22-26-49-45(27-34)40-15-7-9-17-47(40)52-49)51(36-13-5-2-6-14-36)37-23-21-33-19-20-35-28-50-46(31-44(35)42(33)29-37)41-16-8-10-18-48(41)53-50/h1-31H.
What are the key properties of N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-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-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine is sourced from PubChem (CID 176766371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).