N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline

C51H34N2S — CID 164744531

IUPACN,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc7cnccc7s6)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C51H34N2S/c1-3-7-42-31-44(15-11-35(42)5-1)39-19-25-48(26-20-39)53(49-27-21-40(22-28-49)45-16-12-36-6-2-4-8-43(36)32-45)47-23-17-38(18-24-47)37-9-13-41(14-10-37)51-33-46-34-52-30-29-50(46)54-51/h1-34H
InChIKeyWOCOSPUJTYURET-UHFFFAOYSA-N
MW706.91 g/mol
LogP14.74
Rot. Bonds7

About N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline

N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline (PubChem CID 164744531) has the molecular formula C51H34N2S and a molecular weight of 706.91 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline
PubChem CID164744531
Molecular FormulaC51H34N2S
Molecular Weight706.91 g/mol
Exact Mass706.24
IUPAC NameN,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc7cnccc7s6)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C51H34N2S/c1-3-7-42-31-44(15-11-35(42)5-1)39-19-25-48(26-20-39)53(49-27-21-40(22-28-49)45-16-12-36-6-2-4-8-43(36)32-45)47-23-17-38(18-24-47)37-9-13-41(14-10-37)51-33-46-34-52-30-29-50(46)54-51/h1-34H
InChIKeyWOCOSPUJTYURET-UHFFFAOYSA-N
XLogP14.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.91
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline
CID 165055110
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 163856716
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-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
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-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
CID 168737860
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650
2-(4-methylphenyl)thieno[3,2-c]pyridine
CID 59130313
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-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 164744723
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165042446
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline
CID 164744627

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline?
The IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline (CID 164744531) is N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline?
The canonical SMILES for N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline is c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc7cnccc7s6)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)ccc2c1.
What is the InChIKey of N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline?
The InChIKey is WOCOSPUJTYURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S/c1-3-7-42-31-44(15-11-35(42)5-1)39-19-25-48(26-20-39)53(49-27-21-40(22-28-49)45-16-12-36-6-2-4-8-43(36)32-45)47-23-17-38(18-24-47)37-9-13-41(14-10-37)51-33-46-34-52-30-29-50(46)54-51/h1-34H.
What are the key properties of N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline?
N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline has a molecular weight of 706.91 g/mol, XLogP of 14.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 164744531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).