5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine

C90H60N4O3S3 — CID 153299434

About 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine

5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine (PubChem CID 153299434) has the molecular formula C90H60N4O3S3 and a molecular weight of 1341.70 g/mol. Its IUPAC name is 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine.

Molecular Properties

• Compound Name: 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine
• PubChem CID: 153299434
• Molecular Formula: C90H60N4O3S3
• Molecular Weight: 1341.70 g/mol
• Exact Mass: 1340.38
• IUPAC Name: 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine
• SMILES: CC#CCOc1ccc2cc(C3(c4ccc(N(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ncccc76)s5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ncccc76)s5)s4)c4ccccc4-c4ncccc43)ccc2c1
• InChI: InChI=1S/C90H60N4O3S3/c1-4-7-49-95-67-37-31-58-52-64(34-28-61(58)55-67)88(73-22-13-10-19-70(73)85-76(88)25-16-46-91-85)79-40-43-82(98-79)94(83-44-41-80(99-83)89(74-23-14-11-20-71(74)86-77(89)26-17-47-92-86)65-35-29-62-56-68(96-50-8-5-2)38-32-59(62)53-65)84-45-42-81(100-84)90(75-24-15-12-21-72(75)87-78(90)27-18-48-93-87)66-36-30-63-57-69(97-51-9-6-3)39-33-60(63)54-66/h10-48,52-57H,49-51H2,1-3H3
• InChIKey: HTEUBBRNAMPOEK-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 69.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1341.70
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine?

The IUPAC name of 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine (CID 153299434) is 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine.

What is the SMILES notation for 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine?

The canonical SMILES for 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine is CC#CCOc1ccc2cc(C3(c4ccc(N(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ncccc76)s5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ncccc76)s5)s4)c4ccccc4-c4ncccc43)ccc2c1.

What is the InChIKey of 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine?

The InChIKey is HTEUBBRNAMPOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N4O3S3/c1-4-7-49-95-67-37-31-58-52-64(34-28-61(58)55-67)88(73-22-13-10-19-70(73)85-76(88)25-16-46-91-85)79-40-43-82(98-79)94(83-44-41-80(99-83)89(74-23-14-11-20-71(74)86-77(89)26-17-47-92-86)65-35-29-62-56-68(96-50-8-5-2)38-32-59(62)53-65)84-45-42-81(100-84)90(75-24-15-12-21-72(75)87-78(90)27-18-48-93-87)66-36-30-63-57-69(97-51-9-6-3)39-33-60(63)54-66/h10-48,52-57H,49-51H2,1-3H3.

What are the key properties of 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine?

5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine has a molecular weight of 1341.70 g/mol, XLogP of 21.28, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine is sourced from PubChem (CID 153299434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).