N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C57H41NO — CID 170399267

IUPACN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)oc2ccccc12
InChIInChI=1S/C57H41NO/c1-40-55-17-8-9-18-56(55)59-57(40)51-16-10-15-50(39-51)49-31-37-54(38-32-49)58(52-33-27-47(28-34-52)45-23-19-43(20-24-45)41-11-4-2-5-12-41)53-35-29-48(30-36-53)46-25-21-44(22-26-46)42-13-6-3-7-14-42/h2-39H,1H3
InChIKeyPURCELJINWMGIR-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.21
Rot. Bonds9

About N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170399267) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170399267
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)oc2ccccc12
InChIInChI=1S/C57H41NO/c1-40-55-17-8-9-18-56(55)59-57(40)51-16-10-15-50(39-51)49-31-37-54(38-32-49)58(52-33-27-47(28-34-52)45-23-19-43(20-24-45)41-11-4-2-5-12-41)53-35-29-48(30-36-53)46-25-21-44(22-26-46)42-13-6-3-7-14-42/h2-39H,1H3
InChIKeyPURCELJINWMGIR-UHFFFAOYSA-N
XLogP16.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401544
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399271
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399357
3-(3-methyl-1-benzofuran-2-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 170526399
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170401362
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399243
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 170399255
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 170401348
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 170401473
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170401454
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 170526144
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170401577

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170399267) is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is Cc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c2)oc2ccccc12.
What is the InChIKey of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is PURCELJINWMGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-40-55-17-8-9-18-56(55)59-57(40)51-16-10-15-50(39-51)49-31-37-54(38-32-49)58(52-33-27-47(28-34-52)45-23-19-43(20-24-45)41-11-4-2-5-12-41)53-35-29-48(30-36-53)46-25-21-44(22-26-46)42-13-6-3-7-14-42/h2-39H,1H3.
What are the key properties of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 755.96 g/mol, XLogP of 16.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170399267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).