6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine

C33H23N5S — CID 59661018

IUPAC6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccn(-c3ccc(-c4cnccn4)cc3)c2)c2cccc(-c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C33H23N5S/c1-2-8-27(9-3-1)38(33-12-6-10-29(36-33)32-21-25-7-4-5-11-31(25)39-32)28-17-20-37(23-28)26-15-13-24(14-16-26)30-22-34-18-19-35-30/h1-23H
InChIKeyVHMCTQULZVYSEI-UHFFFAOYSA-N
MW521.65 g/mol
LogP8.68
Rot. Bonds6

About 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine

6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine (PubChem CID 59661018) has the molecular formula C33H23N5S and a molecular weight of 521.65 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine
PubChem CID59661018
Molecular FormulaC33H23N5S
Molecular Weight521.65 g/mol
Exact Mass521.17
IUPAC Name6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccn(-c3ccc(-c4cnccn4)cc3)c2)c2cccc(-c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C33H23N5S/c1-2-8-27(9-3-1)38(33-12-6-10-29(36-33)32-21-25-7-4-5-11-31(25)39-32)28-17-20-37(23-28)26-15-13-24(14-16-26)30-22-34-18-19-35-30/h1-23H
InChIKeyVHMCTQULZVYSEI-UHFFFAOYSA-N
XLogP8.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.65
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59720610
N-phenyl-6-pyridin-2-yl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
CID 58704261
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 176651579
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-N-phenylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165048376
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine
CID 123785166

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine?
The IUPAC name of 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine (CID 59661018) is 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine is c1ccc(N(c2ccn(-c3ccc(-c4cnccn4)cc3)c2)c2cccc(-c3cc4ccccc4s3)n2)cc1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine?
The InChIKey is VHMCTQULZVYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5S/c1-2-8-27(9-3-1)38(33-12-6-10-29(36-33)32-21-25-7-4-5-11-31(25)39-32)28-17-20-37(23-28)26-15-13-24(14-16-26)30-22-34-18-19-35-30/h1-23H.
What are the key properties of 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine?
6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine has a molecular weight of 521.65 g/mol, XLogP of 8.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine is sourced from PubChem (CID 59661018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).