3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole

C72H48N2 — CID 126764075

About 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole

3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 126764075) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
• PubChem CID: 126764075
• Molecular Formula: C72H48N2
• Molecular Weight: 941.19 g/mol
• Exact Mass: 940.38
• IUPAC Name: 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6-c6ccccc6-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)c5)ccc43)c2)cc1
• InChI: InChI=1S/C72H48N2/c1-4-20-49(21-5-1)57-44-58(50-22-6-2-7-23-50)46-60(45-57)74-70-37-17-15-35-66(70)68-48-54(39-41-72(68)74)52-25-19-27-56(43-52)62-31-11-13-33-64(62)63-32-12-10-30-61(63)55-26-18-24-51(42-55)53-38-40-71-67(47-53)65-34-14-16-36-69(65)73(71)59-28-8-3-9-29-59/h1-48H
• InChIKey: QROTWXQYWSBLGF-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.19
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole?

The IUPAC name of 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole (CID 126764075) is 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole.

What is the SMILES notation for 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole?

The canonical SMILES for 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6-c6ccccc6-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)c5)ccc43)c2)cc1.

What is the InChIKey of 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole?

The InChIKey is QROTWXQYWSBLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-4-20-49(21-5-1)57-44-58(50-22-6-2-7-23-50)46-60(45-57)74-70-37-17-15-35-66(70)68-48-54(39-41-72(68)74)52-25-19-27-56(43-52)62-31-11-13-33-64(62)63-32-12-10-30-61(63)55-26-18-24-51(42-55)53-38-40-71-67(47-53)65-34-14-16-36-69(65)73(71)59-28-8-3-9-29-59/h1-48H.

What are the key properties of 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole?

3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 941.19 g/mol, XLogP of 19.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 126764075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).