N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C61H47NO2 — CID 156512597

IUPACN-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)cc3)cc2)cc1
InChIInChI=1S/C61H47NO2/c1-4-14-42(15-5-1)45-24-30-48(31-25-45)61(54-21-11-10-20-53(54)59-55(61)40-41-58-60(59)64-57-23-13-12-22-56(57)63-58)49-32-38-52(39-33-49)62(50-34-26-46(27-35-50)43-16-6-2-7-17-43)51-36-28-47(29-37-51)44-18-8-3-9-19-44/h2-3,6-13,16-42H,1,4-5,14-15H2
InChIKeyQKLWJOODFRDCCK-UHFFFAOYSA-N
MW826.05 g/mol
LogP16.80
Rot. Bonds8

About N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 156512597) has the molecular formula C61H47NO2 and a molecular weight of 826.05 g/mol. Its IUPAC name is N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID156512597
Molecular FormulaC61H47NO2
Molecular Weight826.05 g/mol
Exact Mass825.36
IUPAC NameN-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)cc3)cc2)cc1
InChIInChI=1S/C61H47NO2/c1-4-14-42(15-5-1)45-24-30-48(31-25-45)61(54-21-11-10-20-53(54)59-55(61)40-41-58-60(59)64-57-23-13-12-22-56(57)63-58)49-32-38-52(39-33-49)62(50-34-26-46(27-35-50)43-16-6-2-7-17-43)51-36-28-47(29-37-51)44-18-8-3-9-19-44/h2-3,6-13,16-42H,1,4-5,14-15H2
InChIKeyQKLWJOODFRDCCK-UHFFFAOYSA-N
XLogP16.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.05
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174278817
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
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-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
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,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline
CID 166005560
4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline
CID 167389035
N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine
CID 167389053
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 156512597) is N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QKLWJOODFRDCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47NO2/c1-4-14-42(15-5-1)45-24-30-48(31-25-45)61(54-21-11-10-20-53(54)59-55(61)40-41-58-60(59)64-57-23-13-12-22-56(57)63-58)49-32-38-52(39-33-49)62(50-34-26-46(27-35-50)43-16-6-2-7-17-43)51-36-28-47(29-37-51)44-18-8-3-9-19-44/h2-3,6-13,16-42H,1,4-5,14-15H2.
What are the key properties of N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 826.05 g/mol, XLogP of 16.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 156512597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).