2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

C92H54N8S2 — CID 138493475

About 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 138493475) has the molecular formula C92H54N8S2 and a molecular weight of 1335.63 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 138493475
• Molecular Formula: C92H54N8S2
• Molecular Weight: 1335.63 g/mol
• Exact Mass: 1334.39
• IUPAC Name: 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8c8ccccc8n9-c8ccc(-c9nc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c%10sc%11ccccc%11c%10n9)cc8)ccc76)cc5)c5sc6ccccc6c5n4)ccc32)cc1
• InChI: InChI=1S/C92H54N8S2/c1-3-20-60(21-4-1)97-74-31-13-8-25-66(74)72-53-58(43-50-79(72)97)86-90-88(70-29-12-18-37-83(70)102-90)95-91(94-86)56-40-47-63(48-41-56)100-77-34-16-10-27-68(77)84-64(30-19-35-81(84)100)57-42-49-78-71(52-57)65-24-7-15-33-76(65)99(78)62-45-38-55(39-46-62)85-89-87(69-28-11-17-36-82(69)101-89)96-92(93-85)59-44-51-80-73(54-59)67-26-9-14-32-75(67)98(80)61-22-5-2-6-23-61/h1-54H
• InChIKey: MNQMICYPZXSAHX-UHFFFAOYSA-N
• XLogP: 24.73
• TPSA: 71.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.63
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (CID 138493475) is 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8c8ccccc8n9-c8ccc(-c9nc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c%10sc%11ccccc%11c%10n9)cc8)ccc76)cc5)c5sc6ccccc6c5n4)ccc32)cc1.

What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is MNQMICYPZXSAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N8S2/c1-3-20-60(21-4-1)97-74-31-13-8-25-66(74)72-53-58(43-50-79(72)97)86-90-88(70-29-12-18-37-83(70)102-90)95-91(94-86)56-40-47-63(48-41-56)100-77-34-16-10-27-68(77)84-64(30-19-35-81(84)100)57-42-49-78-71(52-57)65-24-7-15-33-76(65)99(78)62-45-38-55(39-46-62)85-89-87(69-28-11-17-36-82(69)101-89)96-92(93-85)59-44-51-80-73(54-59)67-26-9-14-32-75(67)98(80)61-22-5-2-6-23-61/h1-54H.

What are the key properties of 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1335.63 g/mol, XLogP of 24.73, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 138493475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).