N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine

C48H33NO — CID 170398146

IUPACN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-3-12-34(13-4-1)42-29-43(35-14-5-2-6-15-35)32-46(31-42)49(45-27-24-36-16-7-8-17-39(36)30-45)44-25-22-37(23-26-44)38-19-11-20-40(28-38)48-33-41-18-9-10-21-47(41)50-48/h1-33H
InChIKeyFJWUEEGUMPHIDR-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine (PubChem CID 170398146) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
PubChem CID170398146
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-3-12-34(13-4-1)42-29-43(35-14-5-2-6-15-35)32-46(31-42)49(45-27-24-36-16-7-8-17-39(36)30-45)44-25-22-37(23-26-44)38-19-11-20-40(28-38)48-33-41-18-9-10-21-47(41)50-48/h1-33H
InChIKeyFJWUEEGUMPHIDR-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine (CID 170398146) is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine?
The InChIKey is FJWUEEGUMPHIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-12-34(13-4-1)42-29-43(35-14-5-2-6-15-35)32-46(31-42)49(45-27-24-36-16-7-8-17-39(36)30-45)44-25-22-37(23-26-44)38-19-11-20-40(28-38)48-33-41-18-9-10-21-47(41)50-48/h1-33H.
What are the key properties of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine?
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170398146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).