2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine

C66H42N4O — CID 174313578

About 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine

2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 174313578) has the molecular formula C66H42N4O and a molecular weight of 907.09 g/mol. Its IUPAC name is 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 174313578
• Molecular Formula: C66H42N4O
• Molecular Weight: 907.09 g/mol
• Exact Mass: 906.34
• IUPAC Name: 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: C=Cc1c(/C=C\c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n(-c2cc3ccccc3cc2-c2nc(-c3ccccc3)c3oc4ccc(-c5ccccc5)cc4c3n2)c2ccc3ccccc3c12
• InChI: InChI=1S/C66H42N4O/c1-2-50-57(34-30-42-31-35-58-53(38-42)52-28-16-17-29-56(52)69(58)49-25-10-5-11-26-49)70(59-36-32-44-20-14-15-27-51(44)62(50)59)60-41-47-24-13-12-23-46(47)39-54(60)66-67-63(45-21-8-4-9-22-45)65-64(68-66)55-40-48(33-37-61(55)71-65)43-18-6-3-7-19-43/h2-41H,1H2/b34-30-
• InChIKey: SUIPRCDZJXGVAY-BVNFUTIRSA-N
• XLogP: 17.54
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.09
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine (CID 174313578) is 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine is C=Cc1c(/C=C\c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n(-c2cc3ccccc3cc2-c2nc(-c3ccccc3)c3oc4ccc(-c5ccccc5)cc4c3n2)c2ccc3ccccc3c12.

What is the InChIKey of 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is SUIPRCDZJXGVAY-BVNFUTIRSA-N. The full InChI is InChI=1S/C66H42N4O/c1-2-50-57(34-30-42-31-35-58-53(38-42)52-28-16-17-29-56(52)69(58)49-25-10-5-11-26-49)70(59-36-32-44-20-14-15-27-51(44)62(50)59)60-41-47-24-13-12-23-46(47)39-54(60)66-67-63(45-21-8-4-9-22-45)65-64(68-66)55-40-48(33-37-61(55)71-65)43-18-6-3-7-19-43/h2-41H,1H2/b34-30-.

What are the key properties of 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine?

2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 907.09 g/mol, XLogP of 17.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-ethenyl-2-[(Z)-2-(9-phenylcarbazol-3-yl)ethenyl]benzo[e]indol-3-yl]naphthalen-2-yl]-4,8-diphenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 174313578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).