4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline

C69H46N2 — CID 167214691

About 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline

4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline (PubChem CID 167214691) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
• PubChem CID: 167214691
• Molecular Formula: C69H46N2
• Molecular Weight: 903.14 g/mol
• Exact Mass: 902.37
• IUPAC Name: 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
• SMILES: c1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C69H46N2/c1-2-20-51(21-3-1)69(65-29-11-8-24-61(65)62-25-9-12-30-66(62)69)52-36-45-68-64(46-52)63-26-10-13-31-67(63)71(68)56-43-41-55(42-44-56)70(53-37-32-49(33-38-53)59-27-14-18-47-16-4-6-22-57(47)59)54-39-34-50(35-40-54)60-28-15-19-48-17-5-7-23-58(48)60/h1-46H
• InChIKey: PRSLBSJHPOZEQN-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.14
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?

The IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline (CID 167214691) is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline.

What is the SMILES notation for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?

The canonical SMILES for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline is c1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?

The InChIKey is PRSLBSJHPOZEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-2-20-51(21-3-1)69(65-29-11-8-24-61(65)62-25-9-12-30-66(62)69)52-36-45-68-64(46-52)63-26-10-13-31-67(63)71(68)56-43-41-55(42-44-56)70(53-37-32-49(33-38-53)59-27-14-18-47-16-4-6-22-57(47)59)54-39-34-50(35-40-54)60-28-15-19-48-17-5-7-23-58(48)60/h1-46H.

What are the key properties of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?

4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline has a molecular weight of 903.14 g/mol, XLogP of 18.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 167214691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).