N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C56H38N2O — CID 145354827

IUPACN-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc4ccccc4c23)ccc1-c1ccc(-c2cccc3c4cccc5c6ccccc6n(c23)c54)cc1
InChIInChI=1S/C56H38N2O/c1-2-36-35-42(57(41-31-29-38(30-32-41)37-13-4-3-5-14-37)51-22-12-24-53-54(51)49-16-7-9-23-52(49)59-53)33-34-43(36)39-25-27-40(28-26-39)44-17-10-19-47-48-20-11-18-46-45-15-6-8-21-50(45)58(55(44)47)56(46)48/h3-35H,2H2,1H3
InChIKeyHIYZDHGVBRBTOI-UHFFFAOYSA-N
MW754.93 g/mol
LogP15.77
Rot. Bonds7

About N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 145354827) has the molecular formula C56H38N2O and a molecular weight of 754.93 g/mol. Its IUPAC name is N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID145354827
Molecular FormulaC56H38N2O
Molecular Weight754.93 g/mol
Exact Mass754.30
IUPAC NameN-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc4ccccc4c23)ccc1-c1ccc(-c2cccc3c4cccc5c6ccccc6n(c23)c54)cc1
InChIInChI=1S/C56H38N2O/c1-2-36-35-42(57(41-31-29-38(30-32-41)37-13-4-3-5-14-37)51-22-12-24-53-54(51)49-16-7-9-23-52(49)59-53)33-34-43(36)39-25-27-40(28-26-39)44-17-10-19-47-48-20-11-18-46-45-15-6-8-21-50(45)58(55(44)47)56(46)48/h3-35H,2H2,1H3
InChIKeyHIYZDHGVBRBTOI-UHFFFAOYSA-N
XLogP15.77
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164744427
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118186890
N-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280362
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-dibenzofuran-1-yl-N-[4-[3-(1-phenylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-1-amine;4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(1-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 160961831
N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 163517639
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 145354827) is N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is CCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc4ccccc4c23)ccc1-c1ccc(-c2cccc3c4cccc5c6ccccc6n(c23)c54)cc1.
What is the InChIKey of N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is HIYZDHGVBRBTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O/c1-2-36-35-42(57(41-31-29-38(30-32-41)37-13-4-3-5-14-37)51-22-12-24-53-54(51)49-16-7-9-23-52(49)59-53)33-34-43(36)39-25-27-40(28-26-39)44-17-10-19-47-48-20-11-18-46-45-15-6-8-21-50(45)58(55(44)47)56(46)48/h3-35H,2H2,1H3.
What are the key properties of N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 754.93 g/mol, XLogP of 15.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 145354827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).