N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C68H44N2O2 — CID 167086724

IUPACN-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4oc4ccc6ccccc6c45)c3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C68H44N2O2/c1-2-16-45(17-3-1)50-21-12-23-54(43-50)69(62-31-14-28-59-58-27-9-11-33-64(58)71-67(59)62)55-24-13-22-52(44-55)56-25-8-10-30-61(56)70(53-39-36-47(37-40-53)51-35-34-46-18-4-5-20-49(46)42-51)63-32-15-29-60-66-57-26-7-6-19-48(57)38-41-65(66)72-68(60)63/h1-44H
InChIKeyKPJBOVNDGVOVSZ-UHFFFAOYSA-N
MW921.11 g/mol
LogP19.73
Rot. Bonds9

About N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 167086724) has the molecular formula C68H44N2O2 and a molecular weight of 921.11 g/mol. Its IUPAC name is N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID167086724
Molecular FormulaC68H44N2O2
Molecular Weight921.11 g/mol
Exact Mass920.34
IUPAC NameN-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4oc4ccc6ccccc6c45)c3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C68H44N2O2/c1-2-16-45(17-3-1)50-21-12-23-54(43-50)69(62-31-14-28-59-58-27-9-11-33-64(58)71-67(59)62)55-24-13-22-52(44-55)56-25-8-10-30-61(56)70(53-39-36-47(37-40-53)51-35-34-46-18-4-5-20-49(46)42-51)63-32-15-29-60-66-57-26-7-6-19-48(57)38-41-65(66)72-68(60)63/h1-44H
InChIKeyKPJBOVNDGVOVSZ-UHFFFAOYSA-N
XLogP19.73
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.11
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 157311049
N-(4-dibenzofuran-4-ylphenyl)-2-[3-[6-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]naphthalen-2-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155133205
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423965

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 167086724) is N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4oc4ccc6ccccc6c45)c3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is KPJBOVNDGVOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O2/c1-2-16-45(17-3-1)50-21-12-23-54(43-50)69(62-31-14-28-59-58-27-9-11-33-64(58)71-67(59)62)55-24-13-22-52(44-55)56-25-8-10-30-61(56)70(53-39-36-47(37-40-53)51-35-34-46-18-4-5-20-49(46)42-51)63-32-15-29-60-66-57-26-7-6-19-48(57)38-41-65(66)72-68(60)63/h1-44H.
What are the key properties of N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 921.11 g/mol, XLogP of 19.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 167086724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).