3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C92H55Cl3N8O2 — CID 165088201

About 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 165088201) has the molecular formula C92H55Cl3N8O2 and a molecular weight of 1410.87 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 165088201
• Molecular Formula: C92H55Cl3N8O2
• Molecular Weight: 1410.87 g/mol
• Exact Mass: 1408.35
• IUPAC Name: 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: Clc1ccc2oc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc3c2c1.Clc1ccc2oc3c(-c4ccccc4)nc(Cl)nc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1
• InChI: InChI=1S/C46H27ClN4O.C30H20N2.C16H8Cl2N2O/c47-31-21-24-42-37(27-31)44-45(52-42)43(28-11-3-1-4-12-28)48-46(49-44)51-39-18-10-8-16-34(39)36-26-30(20-23-41(36)51)29-19-22-40-35(25-29)33-15-7-9-17-38(33)50(40)32-13-5-2-6-14-32;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;17-10-6-7-12-11(8-10)14-15(21-12)13(19-16(18)20-14)9-4-2-1-3-5-9/h1-27H;1-19,31H;1-8H
• InChIKey: WGDXOOFOLXGUGQ-UHFFFAOYSA-N
• XLogP: 25.99
• TPSA: 108.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1410.87
LogP ≤ 5	25.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 165088201) is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is Clc1ccc2oc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc3c2c1.Clc1ccc2oc3c(-c4ccccc4)nc(Cl)nc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.

What is the InChIKey of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is WGDXOOFOLXGUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27ClN4O.C30H20N2.C16H8Cl2N2O/c47-31-21-24-42-37(27-31)44-45(52-42)43(28-11-3-1-4-12-28)48-46(49-44)51-39-18-10-8-16-34(39)36-26-30(20-23-41(36)51)29-19-22-40-35(25-29)33-15-7-9-17-38(33)50(40)32-13-5-2-6-14-32;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;17-10-6-7-12-11(8-10)14-15(21-12)13(19-16(18)20-14)9-4-2-1-3-5-9/h1-27H;1-19,31H;1-8H.

What are the key properties of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1410.87 g/mol, XLogP of 25.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;8-chloro-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2,8-dichloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 165088201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).