N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine

C38H24N6S4 — CID 102032445

IUPACN,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4c(c(-c5ccc(N(c6ccccc6)c6ccccc6)s5)c5nsnc35)N=S=N4)s2)cc1
InChIInChI=1S/C38H24N6S4/c1-5-13-25(14-6-1)43(26-15-7-2-8-16-26)31-23-21-29(45-31)33-35-37(41-47-39-35)34(38-36(33)40-48-42-38)30-22-24-32(46-30)44(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyBSWSFONLSGVZOB-UHFFFAOYSA-N
MW692.92 g/mol
LogP12.81
Rot. Bonds8

About N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine

N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine (PubChem CID 102032445) has the molecular formula C38H24N6S4 and a molecular weight of 692.92 g/mol. Its IUPAC name is N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine
PubChem CID102032445
Molecular FormulaC38H24N6S4
Molecular Weight692.92 g/mol
Exact Mass692.09
IUPAC NameN,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4c(c(-c5ccc(N(c6ccccc6)c6ccccc6)s5)c5nsnc35)N=S=N4)s2)cc1
InChIInChI=1S/C38H24N6S4/c1-5-13-25(14-6-1)43(26-15-7-2-8-16-26)31-23-21-29(45-31)33-35-37(41-47-39-35)34(38-36(33)40-48-42-38)30-22-24-32(46-30)44(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyBSWSFONLSGVZOB-UHFFFAOYSA-N
XLogP12.81
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.92
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine?
The IUPAC name of N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine (CID 102032445) is N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine.
What is the SMILES notation for N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine?
The canonical SMILES for N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine is c1ccc(N(c2ccccc2)c2ccc(-c3c4c(c(-c5ccc(N(c6ccccc6)c6ccccc6)s5)c5nsnc35)N=S=N4)s2)cc1.
What is the InChIKey of N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine?
The InChIKey is BSWSFONLSGVZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6S4/c1-5-13-25(14-6-1)43(26-15-7-2-8-16-26)31-23-21-29(45-31)33-35-37(41-47-39-35)34(38-36(33)40-48-42-38)30-22-24-32(46-30)44(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H.
What are the key properties of N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine?
N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine has a molecular weight of 692.92 g/mol, XLogP of 12.81, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-[8-[5-(N-phenylanilino)thiophen-2-yl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophen-2-amine is sourced from PubChem (CID 102032445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).