N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine

C54H34N2O2 — CID 153475800

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3ccccc3n3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H34N2O2/c1-2-13-38(14-3-1)52-44-17-6-8-20-46(44)56-48-34-39(28-33-50(48)58-54(52)56)35-24-29-40(30-25-35)55(47-21-11-23-51-53(47)45-18-7-9-22-49(45)57-51)41-31-26-37(27-32-41)43-19-10-15-36-12-4-5-16-42(36)43/h1-34H
InChIKeyVWXOBLAHOGWBGD-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.36
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine (PubChem CID 153475800) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine
PubChem CID153475800
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3ccccc3n3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H34N2O2/c1-2-13-38(14-3-1)52-44-17-6-8-20-46(44)56-48-34-39(28-33-50(48)58-54(52)56)35-24-29-40(30-25-35)55(47-21-11-23-51-53(47)45-18-7-9-22-49(45)57-51)41-31-26-37(27-32-41)43-19-10-15-36-12-4-5-16-42(36)43/h1-34H
InChIKeyVWXOBLAHOGWBGD-UHFFFAOYSA-N
XLogP15.36
TPSA33.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 153475781
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 146509212
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-dibenzofuran-1-yl-N-[4-[3-(1-phenylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-1-amine;4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(1-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 160961831
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine (CID 153475800) is N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2c3ccccc3n3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is VWXOBLAHOGWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-13-38(14-3-1)52-44-17-6-8-20-46(44)56-48-34-39(28-33-50(48)58-54(52)56)35-24-29-40(30-25-35)55(47-21-11-23-51-53(47)45-18-7-9-22-49(45)57-51)41-31-26-37(27-32-41)43-19-10-15-36-12-4-5-16-42(36)43/h1-34H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 742.88 g/mol, XLogP of 15.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 153475800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).