N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine

C54H34N2O2 — CID 153475737

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3ccccc3n3c2oc2c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cccc23)cc1
InChIInChI=1S/C54H34N2O2/c1-2-14-38(15-3-1)51-44-18-6-8-22-46(44)56-48-24-11-21-43(53(48)58-54(51)56)37-29-33-40(34-30-37)55(47-23-12-26-50-52(47)45-19-7-9-25-49(45)57-50)39-31-27-36(28-32-39)42-20-10-16-35-13-4-5-17-41(35)42/h1-34H
InChIKeyDXLBWYPKDVKIOE-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-9-yl)phenyl]dibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine (PubChem CID 153475737) 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-9-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
PubChem CID153475737
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-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3ccccc3n3c2oc2c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cccc23)cc1
InChIInChI=1S/C54H34N2O2/c1-2-14-38(15-3-1)51-44-18-6-8-22-46(44)56-48-24-11-21-43(53(48)58-54(51)56)37-29-33-40(34-30-37)55(47-23-12-26-50-52(47)45-19-7-9-25-49(45)57-50)39-31-27-36(28-32-39)42-20-10-16-35-13-4-5-17-41(35)42/h1-34H
InChIKeyDXLBWYPKDVKIOE-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-7-yl)phenyl]dibenzofuran-1-amine
CID 153475800
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
4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475803
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-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine
CID 146360098
N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 153475777
N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
CID 148565262
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine
CID 146508653
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine
CID 146508958
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 154605502

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine (CID 153475737) is N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-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-9-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2c3ccccc3n3c2oc2c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is DXLBWYPKDVKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-14-38(15-3-1)51-44-18-6-8-22-46(44)56-48-24-11-21-43(53(48)58-54(51)56)37-29-33-40(34-30-37)55(47-23-12-26-50-52(47)45-19-7-9-25-49(45)57-50)39-31-27-36(28-32-39)42-20-10-16-35-13-4-5-17-41(35)42/h1-34H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-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-9-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 153475737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).