N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline

C190H126N4O8 — CID 165046109

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1.c1ccc2cc(-c3ccc(-c4ccc(N(c5ccc(-c6cc7ccccc7o6)cc5)c5ccc(-c6cc7ccccc7o6)cc5)cc4)cc3)ccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc7ccccc7o6)cc5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1
InChIInChI=1S/2C50H33NO2.C46H31NO2.C44H29NO2/c1-2-8-40-31-41(18-15-34(40)7-1)37-21-27-45(28-22-37)51(46-29-23-39(24-30-46)50-33-43-10-4-6-12-48(43)53-50)44-25-19-36(20-26-44)35-13-16-38(17-14-35)49-32-42-9-3-5-11-47(42)52-49;1-2-8-40-31-41(18-17-34(40)7-1)37-15-13-35(14-16-37)36-19-25-44(26-20-36)51(45-27-21-38(22-28-45)49-32-42-9-3-5-11-47(42)52-49)46-29-23-39(24-30-46)50-33-43-10-4-6-12-48(43)53-50;1-2-8-32(9-3-1)34-18-24-40(25-19-34)47(42-28-22-37(23-29-42)46-31-39-11-5-7-13-44(39)49-46)41-26-20-35(21-27-41)33-14-16-36(17-15-33)45-30-38-10-4-6-12-43(38)48-45;1-2-8-34-27-35(14-13-30(34)7-1)31-15-21-38(22-16-31)45(39-23-17-32(18-24-39)43-28-36-9-3-5-11-41(36)46-43)40-25-19-33(20-26-40)44-29-37-10-4-6-12-42(37)47-44/h2*1-33H;1-31H;1-29H
InChIKeyOXPXFTCLMOIQTB-UHFFFAOYSA-N
MW2593.12 g/mol
LogP55.06
Rot. Bonds27

About N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline

N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 165046109) has the molecular formula C190H126N4O8 and a molecular weight of 2593.12 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID165046109
Molecular FormulaC190H126N4O8
Molecular Weight2593.12 g/mol
Exact Mass2590.96
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1.c1ccc2cc(-c3ccc(-c4ccc(N(c5ccc(-c6cc7ccccc7o6)cc5)c5ccc(-c6cc7ccccc7o6)cc5)cc4)cc3)ccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc7ccccc7o6)cc5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1
InChIInChI=1S/2C50H33NO2.C46H31NO2.C44H29NO2/c1-2-8-40-31-41(18-15-34(40)7-1)37-21-27-45(28-22-37)51(46-29-23-39(24-30-46)50-33-43-10-4-6-12-48(43)53-50)44-25-19-36(20-26-44)35-13-16-38(17-14-35)49-32-42-9-3-5-11-47(42)52-49;1-2-8-40-31-41(18-17-34(40)7-1)37-15-13-35(14-16-37)36-19-25-44(26-20-36)51(45-27-21-38(22-28-45)49-32-42-9-3-5-11-47(42)52-49)46-29-23-39(24-30-46)50-33-43-10-4-6-12-48(43)53-50;1-2-8-32(9-3-1)34-18-24-40(25-19-34)47(42-28-22-37(23-29-42)46-31-39-11-5-7-13-44(39)49-46)41-26-20-35(21-27-41)33-14-16-36(17-15-33)45-30-38-10-4-6-12-43(38)48-45;1-2-8-34-27-35(14-13-30(34)7-1)31-15-21-38(22-16-31)45(39-23-17-32(18-24-39)43-28-36-9-3-5-11-41(36)46-43)40-25-19-33(20-26-40)44-29-37-10-4-6-12-42(37)47-44/h2*1-33H;1-31H;1-29H
InChIKeyOXPXFTCLMOIQTB-UHFFFAOYSA-N
XLogP55.06
TPSA118.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms202
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002593.12
LogP ≤ 555.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (CID 165046109) is N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1.c1ccc2cc(-c3ccc(-c4ccc(N(c5ccc(-c6cc7ccccc7o6)cc5)c5ccc(-c6cc7ccccc7o6)cc5)cc4)cc3)ccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc7ccccc7o6)cc5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is OXPXFTCLMOIQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H33NO2.C46H31NO2.C44H29NO2/c1-2-8-40-31-41(18-15-34(40)7-1)37-21-27-45(28-22-37)51(46-29-23-39(24-30-46)50-33-43-10-4-6-12-48(43)53-50)44-25-19-36(20-26-44)35-13-16-38(17-14-35)49-32-42-9-3-5-11-47(42)52-49;1-2-8-40-31-41(18-17-34(40)7-1)37-15-13-35(14-16-37)36-19-25-44(26-20-36)51(45-27-21-38(22-28-45)49-32-42-9-3-5-11-47(42)52-49)46-29-23-39(24-30-46)50-33-43-10-4-6-12-48(43)53-50;1-2-8-32(9-3-1)34-18-24-40(25-19-34)47(42-28-22-37(23-29-42)46-31-39-11-5-7-13-44(39)49-46)41-26-20-35(21-27-41)33-14-16-36(17-15-33)45-30-38-10-4-6-12-43(38)48-45;1-2-8-34-27-35(14-13-30(34)7-1)31-15-21-38(22-16-31)45(39-23-17-32(18-24-39)43-28-36-9-3-5-11-41(36)46-43)40-25-19-33(20-26-40)44-29-37-10-4-6-12-42(37)47-44/h2*1-33H;1-31H;1-29H.
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 2593.12 g/mol, XLogP of 55.06, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 165046109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).