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

C73H48N2 — CID 154590548

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

3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590548) has the molecular formula C73H48N2 and a molecular weight of 953.20 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590548
• Molecular Formula: C73H48N2
• Molecular Weight: 953.20 g/mol
• Exact Mass: 952.38
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccccc2C2(c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc4)c3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C73H48N2/c1-3-18-52(19-4-1)59-24-7-12-29-66(59)73(67-30-13-8-25-60(67)61-26-9-14-31-68(61)73)56-21-17-20-53(46-56)51-36-34-49(35-37-51)50-38-42-58(43-39-50)75-70-33-16-11-28-63(70)65-48-55(41-45-72(65)75)54-40-44-71-64(47-54)62-27-10-15-32-69(62)74(71)57-22-5-2-6-23-57/h1-48H
• InChIKey: BYSWEHVLMIDSPE-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-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole (CID 154590548) is 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccccc2C2(c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc4)c3)c3ccccc3-c3ccccc32)cc1.

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

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

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

3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]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-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).