4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C152H97N3O6 — CID 160762815

IUPAC4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/2C52H33NO2.C48H31NO2/c1-2-13-41(14-3-1)53(48-18-10-12-35-11-4-5-15-43(35)48)42-25-21-34(22-26-42)38-29-39(36-23-27-51-46(32-36)44-16-6-8-19-49(44)54-51)31-40(30-38)37-24-28-52-47(33-37)45-17-7-9-20-50(45)55-52;1-2-12-42(13-3-1)53(44-25-20-34-10-4-5-11-36(34)31-44)43-23-18-35(19-24-43)39-28-40(37-21-26-51-47(32-37)45-14-6-8-16-49(45)54-51)30-41(29-39)38-22-27-52-48(33-38)46-15-7-9-17-50(46)55-52;1-3-11-38(12-4-1)49(39-13-5-2-6-14-39)40-23-19-32(20-24-40)35-27-36(33-21-25-47-43(30-33)41-15-7-9-17-45(41)50-47)29-37(28-35)34-22-26-48-44(31-34)42-16-8-10-18-46(42)51-48/h2*1-33H;1-31H
InChIKeyRYHDUPGMZKONTB-UHFFFAOYSA-N
MW2061.46 g/mol
LogP44.17
Rot. Bonds18

About 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 160762815) has the molecular formula C152H97N3O6 and a molecular weight of 2061.46 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID160762815
Molecular FormulaC152H97N3O6
Molecular Weight2061.46 g/mol
Exact Mass2059.74
IUPAC Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/2C52H33NO2.C48H31NO2/c1-2-13-41(14-3-1)53(48-18-10-12-35-11-4-5-15-43(35)48)42-25-21-34(22-26-42)38-29-39(36-23-27-51-46(32-36)44-16-6-8-19-49(44)54-51)31-40(30-38)37-24-28-52-47(33-37)45-17-7-9-20-50(45)55-52;1-2-12-42(13-3-1)53(44-25-20-34-10-4-5-11-36(34)31-44)43-23-18-35(19-24-43)39-28-40(37-21-26-51-47(32-37)45-14-6-8-16-49(45)54-51)30-41(29-39)38-22-27-52-48(33-38)46-15-7-9-17-50(46)55-52;1-3-11-38(12-4-1)49(39-13-5-2-6-14-39)40-23-19-32(20-24-40)35-27-36(33-21-25-47-43(30-33)41-15-7-9-17-45(41)50-47)29-37(28-35)34-22-26-48-44(31-34)42-16-8-10-18-46(42)51-48/h2*1-33H;1-31H
InChIKeyRYHDUPGMZKONTB-UHFFFAOYSA-N
XLogP44.17
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms161
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002061.46
LogP ≤ 544.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 160762815) is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is RYHDUPGMZKONTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33NO2.C48H31NO2/c1-2-13-41(14-3-1)53(48-18-10-12-35-11-4-5-15-43(35)48)42-25-21-34(22-26-42)38-29-39(36-23-27-51-46(32-36)44-16-6-8-19-49(44)54-51)31-40(30-38)37-24-28-52-47(33-37)45-17-7-9-20-50(45)55-52;1-2-12-42(13-3-1)53(44-25-20-34-10-4-5-11-36(34)31-44)43-23-18-35(19-24-43)39-28-40(37-21-26-51-47(32-37)45-14-6-8-16-49(45)54-51)30-41(29-39)38-22-27-52-48(33-38)46-15-7-9-17-50(46)55-52;1-3-11-38(12-4-1)49(39-13-5-2-6-14-39)40-23-19-32(20-24-40)35-27-36(33-21-25-47-43(30-33)41-15-7-9-17-45(41)50-47)29-37(28-35)34-22-26-48-44(31-34)42-16-8-10-18-46(42)51-48/h2*1-33H;1-31H.
What are the key properties of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 2061.46 g/mol, XLogP of 44.17, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 160762815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).