N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

C68H46N2O — CID 167086371

IUPACN-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6ccccc56)c4)c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C68H46N2O/c1-3-16-47(17-4-1)49-32-36-56(37-33-49)69(60-40-41-64-65-44-52-21-7-8-22-53(52)45-67(65)71-68(64)46-60)58-26-14-25-55(43-58)63-29-11-12-31-66(63)70(57-38-34-50(35-39-57)48-18-5-2-6-19-48)59-27-13-24-54(42-59)62-30-15-23-51-20-9-10-28-61(51)62/h1-46H
InChIKeyPGCBYKUZKXRVJT-UHFFFAOYSA-N
MW907.13 g/mol
LogP19.50
Rot. Bonds10

About N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 167086371) has the molecular formula C68H46N2O and a molecular weight of 907.13 g/mol. Its IUPAC name is N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID167086371
Molecular FormulaC68H46N2O
Molecular Weight907.13 g/mol
Exact Mass906.36
IUPAC NameN-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6ccccc56)c4)c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C68H46N2O/c1-3-16-47(17-4-1)49-32-36-56(37-33-49)69(60-40-41-64-65-44-52-21-7-8-22-53(52)45-67(65)71-68(64)46-60)58-26-14-25-55(43-58)63-29-11-12-31-66(63)70(57-38-34-50(35-39-57)48-18-5-2-6-19-48)59-27-13-24-54(42-59)62-30-15-23-51-20-9-10-28-61(51)62/h1-46H
InChIKeyPGCBYKUZKXRVJT-UHFFFAOYSA-N
XLogP19.50
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.13
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-naphtho[2,3-b][1]benzofuran-2-ylaniline
CID 174277323
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324734
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
1-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-3-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,3-diamine
CID 166916411
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
2-dibenzofuran-3-yl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326205
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 167086371) is N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6ccccc56)c4)c3)c3ccc4c(c3)oc3cc5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is PGCBYKUZKXRVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2O/c1-3-16-47(17-4-1)49-32-36-56(37-33-49)69(60-40-41-64-65-44-52-21-7-8-22-53(52)45-67(65)71-68(64)46-60)58-26-14-25-55(43-58)63-29-11-12-31-66(63)70(57-38-34-50(35-39-57)48-18-5-2-6-19-48)59-27-13-24-54(42-59)62-30-15-23-51-20-9-10-28-61(51)62/h1-46H.
What are the key properties of N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 907.13 g/mol, XLogP of 19.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 167086371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).