N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C110H86F3N3O3 — CID 139983904

About N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 139983904) has the molecular formula C110H86F3N3O3 and a molecular weight of 1554.91 g/mol. Its IUPAC name is N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
• PubChem CID: 139983904
• Molecular Formula: C110H86F3N3O3
• Molecular Weight: 1554.91 g/mol
• Exact Mass: 1553.66
• IUPAC Name: N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
• SMILES: CC(C)(c1ccc(C(C(F)(F)F)(C2(OCc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)C=CC=CC2)C2(OCc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)C=CC=CC2)cc1)c1ccccc1OCc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C110H86F3N3O3/c1-106(2,104-35-17-18-36-105(104)117-75-78-37-53-95(54-38-78)114(98-59-43-81-23-5-11-29-87(81)69-98)99-60-44-82-24-6-12-30-88(82)70-99)93-49-51-94(52-50-93)109(110(111,112)113,107(65-19-3-20-66-107)118-76-79-39-55-96(56-40-79)115(100-61-45-83-25-7-13-31-89(83)71-100)101-62-46-84-26-8-14-32-90(84)72-101)108(67-21-4-22-68-108)119-77-80-41-57-97(58-42-80)116(102-63-47-85-27-9-15-33-91(85)73-102)103-64-48-86-28-10-16-34-92(86)74-103/h3-65,67,69-74H,66,68,75-77H2,1-2H3
• InChIKey: UQPKDIMUXZQNEV-UHFFFAOYSA-N
• XLogP: 29.66
• TPSA: 37.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1554.91
LogP ≤ 5	29.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The IUPAC name of N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 139983904) is N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The canonical SMILES for N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is CC(C)(c1ccc(C(C(F)(F)F)(C2(OCc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)C=CC=CC2)C2(OCc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)C=CC=CC2)cc1)c1ccccc1OCc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The InChIKey is UQPKDIMUXZQNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H86F3N3O3/c1-106(2,104-35-17-18-36-105(104)117-75-78-37-53-95(54-38-78)114(98-59-43-81-23-5-11-29-87(81)69-98)99-60-44-82-24-6-12-30-88(82)70-99)93-49-51-94(52-50-93)109(110(111,112)113,107(65-19-3-20-66-107)118-76-79-39-55-96(56-40-79)115(100-61-45-83-25-7-13-31-89(83)71-100)101-62-46-84-26-8-14-32-90(84)72-101)108(67-21-4-22-68-108)119-77-80-41-57-97(58-42-80)116(102-63-47-85-27-9-15-33-91(85)73-102)103-64-48-86-28-10-16-34-92(86)74-103/h3-65,67,69-74H,66,68,75-77H2,1-2H3.

What are the key properties of N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 1554.91 g/mol, XLogP of 29.66, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[2-[4-[1,1-bis[1-[[4-(dinaphthalen-2-ylamino)phenyl]methoxy]cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroethyl]phenyl]propan-2-yl]phenoxy]methyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 139983904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).