3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole

C73H48N2 — CID 154590363

About 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590363) has the molecular formula C73H48N2 and a molecular weight of 953.20 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590363
• Molecular Formula: C73H48N2
• Molecular Weight: 953.20 g/mol
• Exact Mass: 952.38
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4-c4ccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)cc4)ccc32)cc1
• InChI: InChI=1S/C73H48N2/c1-3-21-54(22-4-1)73(66-33-14-9-28-59(66)60-29-10-15-34-67(60)73)55-23-19-20-51(46-55)49-38-40-50(41-39-49)57-26-7-8-27-58(57)61-30-11-17-36-69(61)75-70-37-18-13-32-63(70)65-48-53(43-45-72(65)75)52-42-44-71-64(47-52)62-31-12-16-35-68(62)74(71)56-24-5-2-6-25-56/h1-48H
• InChIKey: SHYYKIJPQLUACP-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.20
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590363) is 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4-c4ccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)cc4)ccc32)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?

The InChIKey is SHYYKIJPQLUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2/c1-3-21-54(22-4-1)73(66-33-14-9-28-59(66)60-29-10-15-34-67(60)73)55-23-19-20-51(46-55)49-38-40-50(41-39-49)57-26-7-8-27-58(57)61-30-11-17-36-69(61)75-70-37-18-13-32-63(70)65-48-53(43-45-72(65)75)52-42-44-71-64(47-52)62-31-12-16-35-68(62)74(71)56-24-5-2-6-25-56/h1-48H.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 953.20 g/mol, XLogP of 18.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).