8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C68H41N5O — CID 135163806

About 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 135163806) has the molecular formula C68H41N5O and a molecular weight of 944.11 g/mol. Its IUPAC name is 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 135163806
• Molecular Formula: C68H41N5O
• Molecular Weight: 944.11 g/mol
• Exact Mass: 943.33
• IUPAC Name: 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c(-c8cccc(-c9ncnc%10c9oc9ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc9%10)c8)cccc67)c5c4)ccc32)cc1
• InChI: InChI=1S/C68H41N5O/c1-2-17-46(18-3-1)71-60-28-10-7-22-54(60)56-38-42(32-35-63(56)71)43-31-34-55-53-21-6-11-29-61(53)73(64(55)39-43)62-30-14-24-49-48(23-13-25-50(49)62)44-15-12-16-45(37-44)66-68-67(70-41-69-66)57-40-47(33-36-65(57)74-68)72-58-26-8-4-19-51(58)52-20-5-9-27-59(52)72/h1-41H
• InChIKey: ICVJOLKVOXBCRM-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 53.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.11
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 135163806) is 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c(-c8cccc(-c9ncnc%10c9oc9ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc9%10)c8)cccc67)c5c4)ccc32)cc1.

What is the InChIKey of 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is ICVJOLKVOXBCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N5O/c1-2-17-46(18-3-1)71-60-28-10-7-22-54(60)56-38-42(32-35-63(56)71)43-31-34-55-53-21-6-11-29-61(53)73(64(55)39-43)62-30-14-24-49-48(23-13-25-50(49)62)44-15-12-16-45(37-44)66-68-67(70-41-69-66)57-40-47(33-36-65(57)74-68)72-58-26-8-4-19-51(58)52-20-5-9-27-59(52)72/h1-41H.

What are the key properties of 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 944.11 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 135163806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).