N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline

C50H34N2O — CID 153475743

IUPACN,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3oc4c(-c5ccccc5)c5ccccc5n4c3c2)cc1
InChIInChI=1S/C50H34N2O/c1-5-17-35(18-6-1)42-25-13-14-26-43(42)38-33-45(36-29-31-41(32-30-36)51(39-21-9-3-10-22-39)40-23-11-4-12-24-40)49-47(34-38)52-46-28-16-15-27-44(46)48(50(52)53-49)37-19-7-2-8-20-37/h1-34H
InChIKeyCRKRSWSNBKSSJC-UHFFFAOYSA-N
MW678.84 g/mol
LogP13.98
Rot. Bonds7

About N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline

N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline (PubChem CID 153475743) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
PubChem CID153475743
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC NameN,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3oc4c(-c5ccccc5)c5ccccc5n4c3c2)cc1
InChIInChI=1S/C50H34N2O/c1-5-17-35(18-6-1)42-25-13-14-26-43(42)38-33-45(36-29-31-41(32-30-36)51(39-21-9-3-10-22-39)40-23-11-4-12-24-40)49-47(34-38)52-46-28-16-15-27-44(46)48(50(52)53-49)37-19-7-2-8-20-37/h1-34H
InChIKeyCRKRSWSNBKSSJC-UHFFFAOYSA-N
XLogP13.98
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475831
4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475803
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880
N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 153475781
N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
CID 148565262
4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475860
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-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine
CID 153475800
4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline
CID 153475864
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline (CID 153475743) is N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline is c1ccc(-c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3oc4c(-c5ccccc5)c5ccccc5n4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline?
The InChIKey is CRKRSWSNBKSSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-5-17-35(18-6-1)42-25-13-14-26-43(42)38-33-45(36-29-31-41(32-30-36)51(39-21-9-3-10-22-39)40-23-11-4-12-24-40)49-47(34-38)52-46-28-16-15-27-44(46)48(50(52)53-49)37-19-7-2-8-20-37/h1-34H.
What are the key properties of N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline?
N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline has a molecular weight of 678.84 g/mol, XLogP of 13.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline is sourced from PubChem (CID 153475743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).