4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile

C69H44N4 — CID 165376308

About 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile

4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile (PubChem CID 165376308) has the molecular formula C69H44N4 and a molecular weight of 929.14 g/mol. Its IUPAC name is 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile
• PubChem CID: 165376308
• Molecular Formula: C69H44N4
• Molecular Weight: 929.14 g/mol
• Exact Mass: 928.36
• IUPAC Name: 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7c(ccc(-c8ccc(-c9ccc(-c%10ccc(C#N)c%11ccccc%10%11)cc9)cc8)c57)-c5ccccc5-6)cc4)n3)cc21
• InChI: InChI=1S/C69H44N4/c1-69(2)62-19-11-10-18-58(62)59-35-32-49(40-63(59)69)68-72-66(47-12-4-3-5-13-47)71-67(73-68)48-30-28-46(29-31-48)54-37-39-61-57-17-9-8-16-56(57)60-38-36-53(64(54)65(60)61)45-26-22-43(23-27-45)42-20-24-44(25-21-42)52-34-33-50(41-70)51-14-6-7-15-55(51)52/h3-40H,1-2H3
• InChIKey: GNCHQMVLLQEAOF-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 62.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.14
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile?

The IUPAC name of 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile (CID 165376308) is 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile.

What is the SMILES notation for 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile?

The canonical SMILES for 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7c(ccc(-c8ccc(-c9ccc(-c%10ccc(C#N)c%11ccccc%10%11)cc9)cc8)c57)-c5ccccc5-6)cc4)n3)cc21.

What is the InChIKey of 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile?

The InChIKey is GNCHQMVLLQEAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N4/c1-69(2)62-19-11-10-18-58(62)59-35-32-49(40-63(59)69)68-72-66(47-12-4-3-5-13-47)71-67(73-68)48-30-28-46(29-31-48)54-37-39-61-57-17-9-8-16-56(57)60-38-36-53(64(54)65(60)61)45-26-22-43(23-27-45)42-20-24-44(25-21-42)52-34-33-50(41-70)51-14-6-7-15-55(51)52/h3-40H,1-2H3.

What are the key properties of 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile?

4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile has a molecular weight of 929.14 g/mol, XLogP of 17.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]phenyl]phenyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 165376308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).