2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole

C199H205N9O2S6 — CID 160782763

About 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole

2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole (PubChem CID 160782763) has the molecular formula C199H205N9O2S6 and a molecular weight of 2947.29 g/mol. Its IUPAC name is 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole.

Molecular Properties

• Compound Name: 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole
• PubChem CID: 160782763
• Molecular Formula: C199H205N9O2S6
• Molecular Weight: 2947.29 g/mol
• Exact Mass: 2944.45
• IUPAC Name: 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole
• SMILES: CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(-c7ccccc7)cc6)c(-c6ccc(-c7ccccc7)cc6)nc45)s3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)nc45)s3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6cccc7ccccc67)c(-c6cccc7ccccc67)nc45)s3)cc21
• InChI: InChI=1S/C71H71N3S2.C67H67N3S2.C61H67N3O2S2/c1-5-7-9-11-13-21-27-58(28-22-14-12-10-8-6-2)74-63-47-49(3)29-40-59(63)60-41-39-57(48-64(60)74)65-45-46-67(76-65)62-43-42-61(66-44-30-50(4)75-66)70-71(62)73-69(56-37-33-54(34-38-56)52-25-19-16-20-26-52)68(72-70)55-35-31-53(32-36-55)51-23-17-15-18-24-51;1-5-7-9-11-13-15-27-50(28-16-14-12-10-8-6-2)70-59-43-45(3)33-36-53(59)54-37-35-49(44-60(54)70)61-41-42-63(72-61)58-39-38-57(62-40-34-46(4)71-62)66-67(58)69-65(56-32-22-26-48-24-18-20-30-52(48)56)64(68-66)55-31-21-25-47-23-17-19-29-51(47)55;1-7-9-11-13-15-17-19-46(20-18-16-14-12-10-8-2)64-53-39-41(3)21-32-49(53)50-33-27-45(40-54(50)64)55-37-38-57(68-55)52-35-34-51(56-36-22-42(4)67-56)60-61(52)63-59(44-25-30-48(66-6)31-26-44)58(62-60)43-23-28-47(65-5)29-24-43/h15-20,23-26,29-48,58H,5-14,21-22,27-28H2,1-4H3;17-26,29-44,50H,5-16,27-28H2,1-4H3;21-40,46H,7-20H2,1-6H3
• InChIKey: SAUIUJROUFTGSE-UHFFFAOYSA-N
• XLogP: 62.22
• TPSA: 110.59 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 64
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2947.29
LogP ≤ 5	62.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole?

The IUPAC name of 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole (CID 160782763) is 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole.

What is the SMILES notation for 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole?

The canonical SMILES for 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole is CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(-c7ccccc7)cc6)c(-c6ccc(-c7ccccc7)cc6)nc45)s3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)nc45)s3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6cccc7ccccc67)c(-c6cccc7ccccc67)nc45)s3)cc21.

What is the InChIKey of 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole?

The InChIKey is SAUIUJROUFTGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H71N3S2.C67H67N3S2.C61H67N3O2S2/c1-5-7-9-11-13-21-27-58(28-22-14-12-10-8-6-2)74-63-47-49(3)29-40-59(63)60-41-39-57(48-64(60)74)65-45-46-67(76-65)62-43-42-61(66-44-30-50(4)75-66)70-71(62)73-69(56-37-33-54(34-38-56)52-25-19-16-20-26-52)68(72-70)55-35-31-53(32-36-55)51-23-17-15-18-24-51;1-5-7-9-11-13-15-27-50(28-16-14-12-10-8-6-2)70-59-43-45(3)33-36-53(59)54-37-35-49(44-60(54)70)61-41-42-63(72-61)58-39-38-57(62-40-34-46(4)71-62)66-67(58)69-65(56-32-22-26-48-24-18-20-30-52(48)56)64(68-66)55-31-21-25-47-23-17-19-29-51(47)55;1-7-9-11-13-15-17-19-46(20-18-16-14-12-10-8-2)64-53-39-41(3)21-32-49(53)50-33-27-45(40-54(50)64)55-37-38-57(68-55)52-35-34-51(56-36-22-42(4)67-56)60-61(52)63-59(44-25-30-48(66-6)31-26-44)58(62-60)43-23-28-47(65-5)29-24-43/h15-20,23-26,29-48,58H,5-14,21-22,27-28H2,1-4H3;17-26,29-44,50H,5-16,27-28H2,1-4H3;21-40,46H,7-20H2,1-6H3.

What are the key properties of 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole?

2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole has a molecular weight of 2947.29 g/mol, XLogP of 62.22, 64 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2,3-bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole is sourced from PubChem (CID 160782763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).