N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine

C50H41NS — CID 169028373

IUPACN-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c5ccc6c(c5)sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C50H41NS/c1-2-8-36(9-3-1)43-13-6-10-38-11-7-14-44(49(38)43)37-16-20-40(21-17-37)51(42-24-25-46-45-12-4-5-15-47(45)52-48(46)29-42)41-22-18-39(19-23-41)50-30-33-26-34(31-50)28-35(27-33)32-50/h1-25,29,33-35H,26-28,30-32H2
InChIKeyYQTQRRXPEKZNII-UHFFFAOYSA-N
MW687.95 g/mol
LogP14.48
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine

N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 169028373) has the molecular formula C50H41NS and a molecular weight of 687.95 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
PubChem CID169028373
Molecular FormulaC50H41NS
Molecular Weight687.95 g/mol
Exact Mass687.30
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c5ccc6c(c5)sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C50H41NS/c1-2-8-36(9-3-1)43-13-6-10-38-11-7-14-44(49(38)43)37-16-20-40(21-17-37)51(42-24-25-46-45-12-4-5-15-47(45)52-48(46)29-42)41-22-18-39(19-23-41)50-30-33-26-34(31-50)28-35(27-33)32-50/h1-25,29,33-35H,26-28,30-32H2
InChIKeyYQTQRRXPEKZNII-UHFFFAOYSA-N
XLogP14.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.95
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-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

N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 155421602
2-N-[4-(1-adamantyl)phenyl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 164768059
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 169028650
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028546
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 166589707
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028274
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028748
N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 171763453
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (CID 169028373) is N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c5ccc6c(c5)sc5ccccc56)cc4)c23)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is YQTQRRXPEKZNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41NS/c1-2-8-36(9-3-1)43-13-6-10-38-11-7-14-44(49(38)43)37-16-20-40(21-17-37)51(42-24-25-46-45-12-4-5-15-47(45)52-48(46)29-42)41-22-18-39(19-23-41)50-30-33-26-34(31-50)28-35(27-33)32-50/h1-25,29,33-35H,26-28,30-32H2.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 687.95 g/mol, XLogP of 14.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 169028373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).