N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C77H54N2 — CID 170304307

About N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170304307) has the molecular formula C77H54N2 and a molecular weight of 1007.29 g/mol. Its IUPAC name is N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

• Compound Name: N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• PubChem CID: 170304307
• Molecular Formula: C77H54N2
• Molecular Weight: 1007.29 g/mol
• Exact Mass: 1006.43
• IUPAC Name: N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• SMILES: C1=CC(n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)c5ccccc5-c5cccc6cccc(-c7ccccc7)c56)cc4)cccc32)=CCC1
• InChI: InChI=1S/C77H54N2/c1-5-22-54(23-6-1)63-35-19-24-56-25-20-37-68(75(56)63)67-33-14-17-39-72(67)78(62-49-44-55(45-50-62)64-36-21-41-74-76(64)69-34-15-18-40-73(69)79(74)60-30-11-4-12-31-60)61-47-42-53(43-48-61)57-46-51-66-65-32-13-16-38-70(65)77(71(66)52-57,58-26-7-2-8-27-58)59-28-9-3-10-29-59/h1-3,5-11,13-52H,4,12H2
• InChIKey: UQZXHUXQSPDZHO-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1007.29
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The IUPAC name of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170304307) is N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

What is the SMILES notation for N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The canonical SMILES for N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is C1=CC(n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)c5ccccc5-c5cccc6cccc(-c7ccccc7)c56)cc4)cccc32)=CCC1.

What is the InChIKey of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The InChIKey is UQZXHUXQSPDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N2/c1-5-22-54(23-6-1)63-35-19-24-56-25-20-37-68(75(56)63)67-33-14-17-39-72(67)78(62-49-44-55(45-50-62)64-36-21-41-74-76(64)69-34-15-18-40-73(69)79(74)60-30-11-4-12-31-60)61-47-42-53(43-48-61)57-46-51-66-65-32-13-16-38-70(65)77(71(66)52-57,58-26-7-2-8-27-58)59-28-9-3-10-29-59/h1-3,5-11,13-52H,4,12H2.

What are the key properties of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 1007.29 g/mol, XLogP of 20.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170304307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).