4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline

C50H34N2O — CID 153475880

IUPAC4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6n45)cc3)cc2)cc1
InChIInChI=1S/C50H34N2O/c1-4-12-35(13-5-1)37-20-27-42(28-21-37)51(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)41-26-33-47-48(34-41)53-50-49(40-16-8-3-9-17-40)45-18-10-11-19-46(45)52(47)50/h1-34H
InChIKeyXKWSYGRXAXETOZ-UHFFFAOYSA-N
MW678.84 g/mol
LogP13.98
Rot. Bonds7

About 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 153475880) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID153475880
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Name4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6n45)cc3)cc2)cc1
InChIInChI=1S/C50H34N2O/c1-4-12-35(13-5-1)37-20-27-42(28-21-37)51(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)41-26-33-47-48(34-41)53-50-49(40-16-8-3-9-17-40)45-18-10-11-19-46(45)52(47)50/h1-34H
InChIKeyXKWSYGRXAXETOZ-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

N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 148534785
4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475742
N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
CID 153475743
4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475803
11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309
N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline
CID 146508530
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
4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline
CID 153475864
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 118963228
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
4-(7-cyclohexyl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475831

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 153475880) is 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6n45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is XKWSYGRXAXETOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-4-12-35(13-5-1)37-20-27-42(28-21-37)51(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)41-26-33-47-48(34-41)53-50-49(40-16-8-3-9-17-40)45-18-10-11-19-46(45)52(47)50/h1-34H.
What are the key properties of 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)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 4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 153475880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).