N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine

C53H32FNO2S — CID 166005590

IUPACN-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine
SMILESFc1ccc(C2(c3cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccccc4c3)c3ccccc3-c3c2ccc2c3Oc3ccccc3O2)cc1
InChIInChI=1S/C53H32FNO2S/c54-36-27-25-34(26-28-36)53(42-20-8-6-18-41(42)50-43(53)29-30-48-51(50)57-47-23-10-9-22-46(47)56-48)35-31-33-13-4-5-16-38(33)45(32-35)55(37-14-2-1-3-15-37)44-21-12-19-40-39-17-7-11-24-49(39)58-52(40)44/h1-32H
InChIKeyHDVUEVOFLJWKKD-UHFFFAOYSA-N
MW765.91 g/mol
LogP15.08
Rot. Bonds5

About N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine

N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine (PubChem CID 166005590) has the molecular formula C53H32FNO2S and a molecular weight of 765.91 g/mol. Its IUPAC name is N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine
PubChem CID166005590
Molecular FormulaC53H32FNO2S
Molecular Weight765.91 g/mol
Exact Mass765.21
IUPAC NameN-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine
SMILESFc1ccc(C2(c3cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccccc4c3)c3ccccc3-c3c2ccc2c3Oc3ccccc3O2)cc1
InChIInChI=1S/C53H32FNO2S/c54-36-27-25-34(26-28-36)53(42-20-8-6-18-41(42)50-43(53)29-30-48-51(50)57-47-23-10-9-22-46(47)56-48)35-31-33-13-4-5-16-38(33)45(32-35)55(37-14-2-1-3-15-37)44-21-12-19-40-39-17-7-11-24-49(39)58-52(40)44/h1-32H
InChIKeyHDVUEVOFLJWKKD-UHFFFAOYSA-N
XLogP15.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.91
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine 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

2-[4-(8-dibenzothiophen-4-ylindeno[1,2-a]oxanthren-8-yl)phenyl]-N,N-diphenylaniline
CID 166005526
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
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-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775342
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121395
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine
CID 163740360
N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
CID 167389015
10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]
CID 129309053

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine (CID 166005590) is N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine is Fc1ccc(C2(c3cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccccc4c3)c3ccccc3-c3c2ccc2c3Oc3ccccc3O2)cc1.
What is the InChIKey of N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is HDVUEVOFLJWKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32FNO2S/c54-36-27-25-34(26-28-36)53(42-20-8-6-18-41(42)50-43(53)29-30-48-51(50)57-47-23-10-9-22-46(47)56-48)35-31-33-13-4-5-16-38(33)45(32-35)55(37-14-2-1-3-15-37)44-21-12-19-40-39-17-7-11-24-49(39)58-52(40)44/h1-32H.
What are the key properties of N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine?
N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 765.91 g/mol, XLogP of 15.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-(4-fluorophenyl)indeno[1,2-a]oxanthren-8-yl]naphthalen-1-yl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 166005590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).