4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C73H55N3 — CID 165165102

About 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 165165102) has the molecular formula C73H55N3 and a molecular weight of 974.26 g/mol. Its IUPAC name is 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• PubChem CID: 165165102
• Molecular Formula: C73H55N3
• Molecular Weight: 974.26 g/mol
• Exact Mass: 973.44
• IUPAC Name: 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc(C8CC9CCC8C9)cc7)cc6)cc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)ccc32)cc1
• InChI: InChI=1S/C73H55N3/c1-3-11-60(12-4-1)75-71-18-10-8-16-66(71)69-47-57(36-44-72(69)75)54-31-39-63(40-32-54)74(62-37-29-53(30-38-62)51-23-21-50(22-24-51)52-25-27-56(28-26-52)68-46-49-19-20-59(68)45-49)64-41-33-55(34-42-64)58-35-43-67-65-15-7-9-17-70(65)76(73(67)48-58)61-13-5-2-6-14-61/h1-18,21-44,47-49,59,68H,19-20,45-46H2
• InChIKey: ATNDSEJFSPTQDR-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.26
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The IUPAC name of 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 165165102) is 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

What is the SMILES notation for 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The canonical SMILES for 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc(C8CC9CCC8C9)cc7)cc6)cc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)ccc32)cc1.

What is the InChIKey of 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The InChIKey is ATNDSEJFSPTQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55N3/c1-3-11-60(12-4-1)75-71-18-10-8-16-66(71)69-47-57(36-44-72(69)75)54-31-39-63(40-32-54)74(62-37-29-53(30-38-62)51-23-21-50(22-24-51)52-25-27-56(28-26-52)68-46-49-19-20-59(68)45-49)64-41-33-55(34-42-64)58-35-43-67-65-15-7-9-17-70(65)76(73(67)48-58)61-13-5-2-6-14-61/h1-18,21-44,47-49,59,68H,19-20,45-46H2.

What are the key properties of 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 974.26 g/mol, XLogP of 19.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 165165102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).