N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine

C46H30N4S2 — CID 10305547

IUPACN-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cc4sc(-c5ccc(-c6nc7cnccc7n6-c6ccccc6)cc5)cc4s3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H30N4S2/c1-3-12-35(13-4-1)49(40-17-9-11-31-10-7-8-16-38(31)40)37-24-22-33(23-25-37)43-29-45-44(52-43)28-42(51-45)32-18-20-34(21-19-32)46-48-39-30-47-27-26-41(39)50(46)36-14-5-2-6-15-36/h1-30H
InChIKeyFDAOVXSOLLTNAY-UHFFFAOYSA-N
MW702.91 g/mol
LogP13.32
Rot. Bonds7

About N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine

N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine (PubChem CID 10305547) has the molecular formula C46H30N4S2 and a molecular weight of 702.91 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine
PubChem CID10305547
Molecular FormulaC46H30N4S2
Molecular Weight702.91 g/mol
Exact Mass702.19
IUPAC NameN-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cc4sc(-c5ccc(-c6nc7cnccc7n6-c6ccccc6)cc5)cc4s3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H30N4S2/c1-3-12-35(13-4-1)49(40-17-9-11-31-10-7-8-16-38(31)40)37-24-22-33(23-25-37)43-29-45-44(52-43)28-42(51-45)32-18-20-34(21-19-32)46-48-39-30-47-27-26-41(39)50(46)36-14-5-2-6-15-36/h1-30H
InChIKeyFDAOVXSOLLTNAY-UHFFFAOYSA-N
XLogP13.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.91
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine
CID 158544695
N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine
CID 121296361
N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine
CID 90198454
N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine
CID 163826736
N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 122424896
N-phenyl-N-[4-(1-phenylindol-2-yl)phenyl]naphthalen-1-amine
CID 145013973
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
2-(4-methylphenyl)-1-naphthalen-1-ylimidazo[4,5-c]pyridine
CID 68643489
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
2-naphthalen-1-yl-3-phenylimidazo[4,5-c]pyridine
CID 134338004
4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160763185

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine (CID 10305547) is N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine is c1ccc(N(c2ccc(-c3cc4sc(-c5ccc(-c6nc7cnccc7n6-c6ccccc6)cc5)cc4s3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine?
The InChIKey is FDAOVXSOLLTNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4S2/c1-3-12-35(13-4-1)49(40-17-9-11-31-10-7-8-16-38(31)40)37-24-22-33(23-25-37)43-29-45-44(52-43)28-42(51-45)32-18-20-34(21-19-32)46-48-39-30-47-27-26-41(39)50(46)36-14-5-2-6-15-36/h1-30H.
What are the key properties of N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine?
N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine has a molecular weight of 702.91 g/mol, XLogP of 13.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[2-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]thieno[3,2-b]thiophen-5-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 10305547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).