N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline

C60H38N2O2 — CID 174281327

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4O6)c3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H38N2O2/c1-3-16-39(17-4-1)45-34-33-44(38-51(45)40-18-5-2-6-19-40)61(53-27-9-7-22-46(53)49-25-14-26-50-47-23-8-11-29-56(47)64-60(49)50)43-21-13-20-41(36-43)42-32-35-54-52(37-42)48-24-15-31-58-59(48)62(54)55-28-10-12-30-57(55)63-58/h1-38H
InChIKeyOQTQIEDXXWPYRR-UHFFFAOYSA-N
MW818.98 g/mol
LogP16.93
Rot. Bonds7

About N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline

N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline (PubChem CID 174281327) has the molecular formula C60H38N2O2 and a molecular weight of 818.98 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline
PubChem CID174281327
Molecular FormulaC60H38N2O2
Molecular Weight818.98 g/mol
Exact Mass818.29
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4O6)c3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H38N2O2/c1-3-16-39(17-4-1)45-34-33-44(38-51(45)40-18-5-2-6-19-40)61(53-27-9-7-22-46(53)49-25-14-26-50-47-23-8-11-29-56(47)64-60(49)50)43-21-13-20-41(36-43)42-32-35-54-52(37-42)48-24-15-31-58-59(48)62(54)55-28-10-12-30-57(55)63-58/h1-38H
InChIKeyOQTQIEDXXWPYRR-UHFFFAOYSA-N
XLogP16.93
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline with MolForge

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-2-amine
CID 174281328
N-(3-dibenzofuran-4-ylphenyl)-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-N-(4-phenylphenyl)aniline
CID 174281803
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline
CID 174281835
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline
CID 174281333
2-(2-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 139544521
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine
CID 174281949
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline
CID 139544519
N-[3-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-yl)phenyl]-7-[6-[N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-yl)phenyl]-4-(4-phenylphenyl)anilino]dibenzofuran-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167166885
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 139544776
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(3-phenylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)aniline
CID 157078470
N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544729

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline (CID 174281327) is N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4O6)c3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline?
The InChIKey is OQTQIEDXXWPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2/c1-3-16-39(17-4-1)45-34-33-44(38-51(45)40-18-5-2-6-19-40)61(53-27-9-7-22-46(53)49-25-14-26-50-47-23-8-11-29-56(47)64-60(49)50)43-21-13-20-41(36-43)42-32-35-54-52(37-42)48-24-15-31-58-59(48)62(54)55-28-10-12-30-57(55)63-58/h1-38H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline?
N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline has a molecular weight of 818.98 g/mol, XLogP of 16.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline is sourced from PubChem (CID 174281327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).