2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine

C34H24N2S2 — CID 177268718

IUPAC2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3cc4sc(N(c5ccccc5)c5ccccc5)cc4cc3s2)cc1
InChIInChI=1S/C34H24N2S2/c1-5-13-27(14-6-1)35(28-15-7-2-8-16-28)33-23-25-21-32-26(22-31(25)37-33)24-34(38-32)36(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H
InChIKeyNBMANLYZLUJSRW-UHFFFAOYSA-N
MW524.71 g/mol
LogP11.06
Rot. Bonds6

About 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine

2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine (PubChem CID 177268718) has the molecular formula C34H24N2S2 and a molecular weight of 524.71 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine
PubChem CID177268718
Molecular FormulaC34H24N2S2
Molecular Weight524.71 g/mol
Exact Mass524.14
IUPAC Name2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3cc4sc(N(c5ccccc5)c5ccccc5)cc4cc3s2)cc1
InChIInChI=1S/C34H24N2S2/c1-5-13-27(14-6-1)35(28-15-7-2-8-16-28)33-23-25-21-32-26(22-31(25)37-33)24-34(38-32)36(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H
InChIKeyNBMANLYZLUJSRW-UHFFFAOYSA-N
XLogP11.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine
CID 134472282
4-bromo-5-methyl-N,N-diphenylthiophen-2-amine
CID 118581123
N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine
CID 43833527
4-N,4-N,16-N,16-N-tetraphenyl-3,15-dithiahexacyclo[11.11.0.02,6.07,12.014,18.019,24]tetracosa-1(13),2(6),4,7,9,11,14(18),16,19,21,23-undecaene-4,16-diamine;4-N,4-N,16-N,16-N-tetraphenyl-5,17-dithiahexacyclo[11.11.0.02,6.07,12.014,18.019,24]tetracosa-1(13),2(6),3,7,9,11,14(18),15,19,21,23-undecaene-4,16-diamine;4-N,4-N,16-N,16-N-tetraphenyl-3,15-dithiapentacyclo[11.7.0.02,6.07,12.014,18]icosa-1(13),2(6),4,7,9,11,14(18),16,19-nonaene-4,16-diamine;4-N,4-N,16-N,16-N-tetraphenyl-5,17-dithiapentacyclo[11.7.0.02,6.07,12.014,18]icosa-1(13),2(6),3,7,9,11,14(18),15,19-nonaene-4,16-diamine
CID 159169595
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-anthracen-9-yl-5-[5-(N-anthracen-9-ylanilino)-3-phenylthiophen-2-yl]-N,4-diphenylthiophen-2-amine
CID 101133579
N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90263616
N,N-diphenylaniline;silane
CID 131739129
N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 90263727
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-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine (CID 177268718) is 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine is c1ccc(N(c2ccccc2)c2cc3cc4sc(N(c5ccccc5)c5ccccc5)cc4cc3s2)cc1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine?
The InChIKey is NBMANLYZLUJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2S2/c1-5-13-27(14-6-1)35(28-15-7-2-8-16-28)33-23-25-21-32-26(22-31(25)37-33)24-34(38-32)36(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H.
What are the key properties of 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine?
2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine has a molecular weight of 524.71 g/mol, XLogP of 11.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine is sourced from PubChem (CID 177268718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).