N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline

C61H41NO2S — CID 138581267

IUPACN-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(N(c2ccccc2-c2cccc3c2sc2ccccc23)C2C=C(c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)C=CC2)=CCC1
InChIInChI=1S/C61H41NO2S/c1-2-18-39(19-3-1)62(53-32-12-7-23-44(53)46-27-15-28-47-45-24-8-13-34-56(45)65-60(46)47)40-20-14-17-38(37-40)41-26-16-33-54-58(41)64-59-55(63-54)36-35-52-57(59)48-25-6-11-31-51(48)61(52)49-29-9-4-21-42(49)43-22-5-10-30-50(43)61/h2,4-19,21-37,40H,1,3,20H2
InChIKeyNBICWYXOEMKBTQ-UHFFFAOYSA-N
MW852.07 g/mol
LogP16.42
Rot. Bonds5

About N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline

N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 138581267) has the molecular formula C61H41NO2S and a molecular weight of 852.07 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID138581267
Molecular FormulaC61H41NO2S
Molecular Weight852.07 g/mol
Exact Mass851.29
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(N(c2ccccc2-c2cccc3c2sc2ccccc23)C2C=C(c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)C=CC2)=CCC1
InChIInChI=1S/C61H41NO2S/c1-2-18-39(19-3-1)62(53-32-12-7-23-44(53)46-27-15-28-47-45-24-8-13-34-56(45)65-60(46)47)40-20-14-17-38(37-40)41-26-16-33-54-58(41)64-59-55(63-54)36-35-52-57(59)48-25-6-11-31-51(48)61(52)49-29-9-4-21-42(49)43-22-5-10-30-50(43)61/h2,4-19,21-37,40H,1,3,20H2
InChIKeyNBICWYXOEMKBTQ-UHFFFAOYSA-N
XLogP16.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.07
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]
CID 129309053
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
2-[4-(8-dibenzothiophen-4-ylindeno[1,2-a]oxanthren-8-yl)phenyl]-N,N-diphenylaniline
CID 166005526
N-(4-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 145280398
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]
CID 166844661
N-phenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-4-amine
CID 138568311
N,N-dimethyl-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-1-ylaniline
CID 159044706
N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544718
N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 171444458
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline (CID 138581267) is N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline is C1=CC(N(c2ccccc2-c2cccc3c2sc2ccccc23)C2C=C(c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)C=CC2)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is NBICWYXOEMKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO2S/c1-2-18-39(19-3-1)62(53-32-12-7-23-44(53)46-27-15-28-47-45-24-8-13-34-56(45)65-60(46)47)40-20-14-17-38(37-40)41-26-16-33-54-58(41)64-59-55(63-54)36-35-52-57(59)48-25-6-11-31-51(48)61(52)49-29-9-4-21-42(49)43-22-5-10-30-50(43)61/h2,4-19,21-37,40H,1,3,20H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline?
N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 852.07 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-4-yl-N-(3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 138581267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).