4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline

C55H35N3O2 — CID 167389035

IUPAC4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(-c5cc6cccnc6c6ncccc56)cc4)c4ccccc4-c4c3ccc3c4Oc4ccccc4O3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-3-14-40(15-4-1)58(41-16-5-2-6-17-41)42-29-27-39(28-30-42)55(38-25-23-36(24-26-38)45-35-37-13-11-33-56-52(37)53-43(45)19-12-34-57-53)46-20-8-7-18-44(46)51-47(55)31-32-50-54(51)60-49-22-10-9-21-48(49)59-50/h1-35H
InChIKeyHAKSOCHVVJVFTK-UHFFFAOYSA-N
MW769.90 g/mol
LogP14.18
Rot. Bonds6

About 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline

4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline (PubChem CID 167389035) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline
PubChem CID167389035
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(-c5cc6cccnc6c6ncccc56)cc4)c4ccccc4-c4c3ccc3c4Oc4ccccc4O3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-3-14-40(15-4-1)58(41-16-5-2-6-17-41)42-29-27-39(28-30-42)55(38-25-23-36(24-26-38)45-35-37-13-11-33-56-52(37)53-43(45)19-12-34-57-53)46-20-8-7-18-44(46)51-47(55)31-32-50-54(51)60-49-22-10-9-21-48(49)59-50/h1-35H
InChIKeyHAKSOCHVVJVFTK-UHFFFAOYSA-N
XLogP14.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine
CID 167389053
N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline
CID 166005560
N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
CID 167389015
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156512597
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
2-[4-(8-dibenzothiophen-4-ylindeno[1,2-a]oxanthren-8-yl)phenyl]-N,N-diphenylaniline
CID 166005526
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline (CID 167389035) is 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(-c5cc6cccnc6c6ncccc56)cc4)c4ccccc4-c4c3ccc3c4Oc4ccccc4O3)cc2)cc1.
What is the InChIKey of 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline?
The InChIKey is HAKSOCHVVJVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-3-14-40(15-4-1)58(41-16-5-2-6-17-41)42-29-27-39(28-30-42)55(38-25-23-36(24-26-38)45-35-37-13-11-33-56-52(37)53-43(45)19-12-34-57-53)46-20-8-7-18-44(46)51-47(55)31-32-50-54(51)60-49-22-10-9-21-48(49)59-50/h1-35H.
What are the key properties of 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline?
4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline has a molecular weight of 769.90 g/mol, XLogP of 14.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline is sourced from PubChem (CID 167389035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).