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

C44H36N2O — CID 153475860

IUPAC4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3cc(C4CCCCC4)ccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)cc1
InChIInChI=1S/C44H36N2O/c1-5-14-31(15-6-1)34-26-29-40-39(30-34)42(33-16-7-2-8-17-33)44-46(40)41-23-13-22-38(43(41)47-44)32-24-27-37(28-25-32)45(35-18-9-3-10-19-35)36-20-11-4-12-21-36/h2-4,7-13,16-31H,1,5-6,14-15H2
InChIKeyPUTDIYRTCCMRQD-UHFFFAOYSA-N
MW608.79 g/mol
LogP12.69
Rot. Bonds6

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

4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline (PubChem CID 153475860) has the molecular formula C44H36N2O and a molecular weight of 608.79 g/mol. Its IUPAC name is 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
PubChem CID153475860
Molecular FormulaC44H36N2O
Molecular Weight608.79 g/mol
Exact Mass608.28
IUPAC Name4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3cc(C4CCCCC4)ccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)cc1
InChIInChI=1S/C44H36N2O/c1-5-14-31(15-6-1)34-26-29-40-39(30-34)42(33-16-7-2-8-17-33)44-46(40)41-23-13-22-38(43(41)47-44)32-24-27-37(28-25-32)45(35-18-9-3-10-19-35)36-20-11-4-12-21-36/h2-4,7-13,16-31H,1,5-6,14-15H2
InChIKeyPUTDIYRTCCMRQD-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

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

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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
N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
CID 153475743
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
8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 71126832
12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine
CID 161145375
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880
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-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline (CID 153475860) is 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline is c1ccc(-c2c3cc(C4CCCCC4)ccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)cc1.
What is the InChIKey of 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The InChIKey is PUTDIYRTCCMRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O/c1-5-14-31(15-6-1)34-26-29-40-39(30-34)42(33-16-7-2-8-17-33)44-46(40)41-23-13-22-38(43(41)47-44)32-24-27-37(28-25-32)45(35-18-9-3-10-19-35)36-20-11-4-12-21-36/h2-4,7-13,16-31H,1,5-6,14-15H2.
What are the key properties of 4-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
4-(2-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-(2-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 153475860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).