N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine

C78H50F3NO2 — CID 134402755

About N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine

N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine (PubChem CID 134402755) has the molecular formula C78H50F3NO2 and a molecular weight of 1090.26 g/mol. Its IUPAC name is N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine
• PubChem CID: 134402755
• Molecular Formula: C78H50F3NO2
• Molecular Weight: 1090.26 g/mol
• Exact Mass: 1089.38
• IUPAC Name: N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine
• SMILES: CC(C)c1cccc2oc3c(cc(-c4ccccc4)c4cc(N(c5ccc6ccccc6c5)c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cc(-c6cccc(C(F)(F)F)c6)c6oc7c(-c8ccccc8)cccc7c6c5c43)c12
• InChI: InChI=1S/C78H50F3NO2/c1-46(2)55-35-20-38-68-70(55)66-43-62(49-24-8-4-9-25-49)64-45-67(82(54-40-39-47-21-12-13-28-51(47)42-54)74-59-33-16-14-31-57(59)69(50-26-10-5-11-27-50)58-32-15-17-34-60(58)74)65-44-63(52-29-18-30-53(41-52)78(79,80)81)76-72(71(65)73(64)77(66)83-68)61-37-19-36-56(75(61)84-76)48-22-6-3-7-23-48/h3-46H,1-2H3
• InChIKey: QCXKEQSCXAMYLI-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.26
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine?

The IUPAC name of N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine (CID 134402755) is N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine.

What is the SMILES notation for N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine?

The canonical SMILES for N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine is CC(C)c1cccc2oc3c(cc(-c4ccccc4)c4cc(N(c5ccc6ccccc6c5)c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cc(-c6cccc(C(F)(F)F)c6)c6oc7c(-c8ccccc8)cccc7c6c5c43)c12.

What is the InChIKey of N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine?

The InChIKey is QCXKEQSCXAMYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50F3NO2/c1-46(2)55-35-20-38-68-70(55)66-43-62(49-24-8-4-9-25-49)64-45-67(82(54-40-39-47-21-12-13-28-51(47)42-54)74-59-33-16-14-31-57(59)69(50-26-10-5-11-27-50)58-32-15-17-34-60(58)74)65-44-63(52-29-18-30-53(41-52)78(79,80)81)76-72(71(65)73(64)77(66)83-68)61-37-19-36-56(75(61)84-76)48-22-6-3-7-23-48/h3-46H,1-2H3.

What are the key properties of N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine?

N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine has a molecular weight of 1090.26 g/mol, XLogP of 23.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-8,18-diphenyl-N-(10-phenylanthracen-9-yl)-22-propan-2-yl-12-[3-(trifluoromethyl)phenyl]-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(28),2,4(9),5,7,11,13,15,17,19,21,23,25-tridecaen-15-amine is sourced from PubChem (CID 134402755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).