N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine

C68H44N2O2 — CID 122533769

IUPACN-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C68H44N2O2/c1-3-11-51-41-59(37-25-45(51)9-1)69(57-33-21-49(22-34-57)53-27-39-63-61-13-5-7-15-65(61)71-67(63)43-53)55-29-17-47(18-30-55)48-19-31-56(32-20-48)70(60-38-26-46-10-2-4-12-52(46)42-60)58-35-23-50(24-36-58)54-28-40-64-62-14-6-8-16-66(62)72-68(64)44-54/h1-44H
InChIKeyGUKDZYYLDSGJGW-UHFFFAOYSA-N
MW921.11 g/mol
LogP19.73
Rot. Bonds9

About N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine

N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine (PubChem CID 122533769) has the molecular formula C68H44N2O2 and a molecular weight of 921.11 g/mol. Its IUPAC name is N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
PubChem CID122533769
Molecular FormulaC68H44N2O2
Molecular Weight921.11 g/mol
Exact Mass920.34
IUPAC NameN-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C68H44N2O2/c1-3-11-51-41-59(37-25-45(51)9-1)69(57-33-21-49(22-34-57)53-27-39-63-61-13-5-7-15-65(61)71-67(63)43-53)55-29-17-47(18-30-55)48-19-31-56(32-20-48)70(60-38-26-46-10-2-4-12-52(46)42-60)58-35-23-50(24-36-58)54-28-40-64-62-14-6-8-16-66(62)72-68(64)44-54/h1-44H
InChIKeyGUKDZYYLDSGJGW-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-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411039
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine (CID 122533769) is N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2c1.
What is the InChIKey of N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine?
The InChIKey is GUKDZYYLDSGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O2/c1-3-11-51-41-59(37-25-45(51)9-1)69(57-33-21-49(22-34-57)53-27-39-63-61-13-5-7-15-65(61)71-67(63)43-53)55-29-17-47(18-30-55)48-19-31-56(32-20-48)70(60-38-26-46-10-2-4-12-52(46)42-60)58-35-23-50(24-36-58)54-28-40-64-62-14-6-8-16-66(62)72-68(64)44-54/h1-44H.
What are the key properties of N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine?
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-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-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 122533769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).