N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine

C53H37NO — CID 170399466

IUPACN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c2)oc2ccccc12
InChIInChI=1S/C53H37NO/c1-36-47-17-6-7-22-52(47)55-53(36)44-16-8-15-43(35-44)39-29-33-46(34-30-39)54(51-21-10-14-41-12-3-5-19-50(41)51)45-31-27-38(28-32-45)37-23-25-42(26-24-37)49-20-9-13-40-11-2-4-18-48(40)49/h2-35H,1H3
InChIKeyAVMLDLIONSKCIP-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.19
Rot. Bonds7

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

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 170399466) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
PubChem CID170399466
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESCc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c2)oc2ccccc12
InChIInChI=1S/C53H37NO/c1-36-47-17-6-7-22-52(47)55-53(36)44-16-8-15-43(35-44)39-29-33-46(34-30-39)54(51-21-10-14-41-12-3-5-19-50(41)51)45-31-27-38(28-32-45)37-23-25-42(26-24-37)49-20-9-13-40-11-2-4-18-48(40)49/h2-35H,1H3
InChIKeyAVMLDLIONSKCIP-UHFFFAOYSA-N
XLogP15.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.19
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]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 170401316
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 170401567
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
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 170401348
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
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
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 170399249
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170399246
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399271
3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170400441
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399357

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (CID 170399466) is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is Cc1c(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c2)oc2ccccc12.
What is the InChIKey of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is AVMLDLIONSKCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-36-47-17-6-7-22-52(47)55-53(36)44-16-8-15-43(35-44)39-29-33-46(34-30-39)54(51-21-10-14-41-12-3-5-19-50(41)51)45-31-27-38(28-32-45)37-23-25-42(26-24-37)49-20-9-13-40-11-2-4-18-48(40)49/h2-35H,1H3.
What are the key properties of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 703.89 g/mol, XLogP of 15.19, 7 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]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170399466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).