4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline

C44H36N2O — CID 153475831

IUPAC4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3ccccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(C4CCCCC4)cc23)cc1
InChIInChI=1S/C44H36N2O/c1-5-15-31(16-6-1)34-29-39(32-25-27-37(28-26-32)45(35-19-9-3-10-20-35)36-21-11-4-12-22-36)43-41(30-34)46-40-24-14-13-23-38(40)42(44(46)47-43)33-17-7-2-8-18-33/h2-4,7-14,17-31H,1,5-6,15-16H2
InChIKeyYCNGVFLWSSTQKU-UHFFFAOYSA-N
MW608.79 g/mol
LogP12.69
Rot. Bonds6

About 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline

4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline (PubChem CID 153475831) has the molecular formula C44H36N2O and a molecular weight of 608.79 g/mol. Its IUPAC name is 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
PubChem CID153475831
Molecular FormulaC44H36N2O
Molecular Weight608.79 g/mol
Exact Mass608.28
IUPAC Name4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3ccccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(C4CCCCC4)cc23)cc1
InChIInChI=1S/C44H36N2O/c1-5-15-31(16-6-1)34-29-39(32-25-27-37(28-26-32)45(35-19-9-3-10-20-35)36-21-11-4-12-22-36)43-41(30-34)46-40-24-14-13-23-38(40)42(44(46)47-43)33-17-7-2-8-18-33/h2-4,7-14,17-31H,1,5-6,15-16H2
InChIKeyYCNGVFLWSSTQKU-UHFFFAOYSA-N
XLogP12.69
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475860
N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
CID 153475743
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880
4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475803
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-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611866
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
CID 148565262
N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611894
8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 71126832
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737

Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline (CID 153475831) is 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline is c1ccc(-c2c3ccccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(C4CCCCC4)cc23)cc1.
What is the InChIKey of 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The InChIKey is YCNGVFLWSSTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O/c1-5-15-31(16-6-1)34-29-39(32-25-27-37(28-26-32)45(35-19-9-3-10-20-35)36-21-11-4-12-22-36)43-41(30-34)46-40-24-14-13-23-38(40)42(44(46)47-43)33-17-7-2-8-18-33/h2-4,7-14,17-31H,1,5-6,15-16H2.
What are the key properties of 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline has a molecular weight of 608.79 g/mol, XLogP of 12.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 153475831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).