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

C66H45NO — CID 170401801

IUPACN-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-c7oc8ccccc8c7-c7ccccc7)c6)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c2)cc1
InChIInChI=1S/C66H45NO/c1-3-13-46(14-4-1)55-19-11-20-56(43-55)51-33-39-61(40-34-51)67(62-41-35-52(36-42-62)58-30-29-47-15-7-8-18-54(47)44-58)60-37-31-49(32-38-60)48-25-27-50(28-26-48)57-21-12-22-59(45-57)66-65(53-16-5-2-6-17-53)63-23-9-10-24-64(63)68-66/h1-45H
InChIKeyMOAIJXWKQNVDAU-UHFFFAOYSA-N
MW868.09 g/mol
LogP18.72
Rot. Bonds10

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

N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 170401801) has the molecular formula C66H45NO and a molecular weight of 868.09 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID170401801
Molecular FormulaC66H45NO
Molecular Weight868.09 g/mol
Exact Mass867.35
IUPAC NameN-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-c7oc8ccccc8c7-c7ccccc7)c6)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c2)cc1
InChIInChI=1S/C66H45NO/c1-3-13-46(14-4-1)55-19-11-20-56(43-55)51-33-39-61(40-34-51)67(62-41-35-52(36-42-62)58-30-29-47-15-7-8-18-54(47)44-58)60-37-31-49(32-38-60)48-25-27-50(28-26-48)57-21-12-22-59(45-57)66-65(53-16-5-2-6-17-53)63-23-9-10-24-64(63)68-66/h1-45H
InChIKeyMOAIJXWKQNVDAU-UHFFFAOYSA-N
XLogP18.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.09
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399078
3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402234
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170401670
4-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402257
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402264
3-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402242
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399040
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399042

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 170401801) is N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-c7oc8ccccc8c7-c7ccccc7)c6)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is MOAIJXWKQNVDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO/c1-3-13-46(14-4-1)55-19-11-20-56(43-55)51-33-39-61(40-34-51)67(62-41-35-52(36-42-62)58-30-29-47-15-7-8-18-54(47)44-58)60-37-31-49(32-38-60)48-25-27-50(28-26-48)57-21-12-22-59(45-57)66-65(53-16-5-2-6-17-53)63-23-9-10-24-64(63)68-66/h1-45H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 868.09 g/mol, XLogP of 18.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170401801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).