N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine

C46H32N4S — CID 122660803

IUPACN-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(Nc6ccc7cccnc7c6)cc5)s4)cc3)c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C46H32N4S/c1-2-6-32(7-3-1)33-13-21-40(22-14-33)50(42-25-15-35-9-5-29-48-44(35)31-42)41-23-16-37(17-24-41)46-27-26-45(51-46)36-11-18-38(19-12-36)49-39-20-10-34-8-4-28-47-43(34)30-39/h1-31,49H
InChIKeyYZDCIVTVXPFVMN-UHFFFAOYSA-N
MW672.86 g/mol
LogP13.06
Rot. Bonds8

About N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine

N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine (PubChem CID 122660803) has the molecular formula C46H32N4S and a molecular weight of 672.86 g/mol. Its IUPAC name is N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine.

Molecular Properties

Compound NameN-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine
PubChem CID122660803
Molecular FormulaC46H32N4S
Molecular Weight672.86 g/mol
Exact Mass672.23
IUPAC NameN-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(Nc6ccc7cccnc7c6)cc5)s4)cc3)c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C46H32N4S/c1-2-6-32(7-3-1)33-13-21-40(22-14-33)50(42-25-15-35-9-5-29-48-44(35)31-42)41-23-16-37(17-24-41)46-27-26-45(51-46)36-11-18-38(19-12-36)49-39-20-10-34-8-4-28-47-43(34)30-39/h1-31,49H
InChIKeyYZDCIVTVXPFVMN-UHFFFAOYSA-N
XLogP13.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.86
LogP ≤ 513.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-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-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine
CID 58511469
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 159275595
N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 59650430
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 164820260
4-(4-bromophenyl)-N,N-diphenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;N-[4-[4-(naphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine;4-[4-[4-(5-phenylthiophen-2-yl)anilino]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;N-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-amine;4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 159851043
4-methyl-N-[4-[4-(4-methyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 161438714
4-methyl-N-[4-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 88567826
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58729753
N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
CID 70898532
N-[4-(6-methyl-7,12-diphenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylquinolin-7-amine
CID 118312564

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine?
The IUPAC name of N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine (CID 122660803) is N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine.
What is the SMILES notation for N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine?
The canonical SMILES for N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(Nc6ccc7cccnc7c6)cc5)s4)cc3)c3ccc4cccnc4c3)cc2)cc1.
What is the InChIKey of N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine?
The InChIKey is YZDCIVTVXPFVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4S/c1-2-6-32(7-3-1)33-13-21-40(22-14-33)50(42-25-15-35-9-5-29-48-44(35)31-42)41-23-16-37(17-24-41)46-27-26-45(51-46)36-11-18-38(19-12-36)49-39-20-10-34-8-4-28-47-43(34)30-39/h1-31,49H.
What are the key properties of N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine?
N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine has a molecular weight of 672.86 g/mol, XLogP of 13.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine is sourced from PubChem (CID 122660803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).