13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine

C78H52N2O2 — CID 163884600

About 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine

13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine (PubChem CID 163884600) has the molecular formula C78H52N2O2 and a molecular weight of 1049.29 g/mol. Its IUPAC name is 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine.

Molecular Properties

• Compound Name: 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine
• PubChem CID: 163884600
• Molecular Formula: C78H52N2O2
• Molecular Weight: 1049.29 g/mol
• Exact Mass: 1048.40
• IUPAC Name: 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine
• SMILES: C1=Cc2c(oc3c2ccc2c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc4c(N(c5ccccc5)c5ccc6ccccc6c5)cc5oc6c(-c7ccccc7)cccc6c5c4c23)C(c2ccc(-c3ccccc3)cc2)C1
• InChI: InChI=1S/C78H52N2O2/c1-6-20-51(21-7-1)54-36-38-57(39-37-54)64-32-18-34-65-66-46-47-67-70(79(59-28-12-4-13-29-59)61-43-40-55(41-44-61)52-22-8-2-9-23-52)49-69-71(80(60-30-14-5-15-31-60)62-45-42-53-24-16-17-27-58(53)48-62)50-72-73(74(69)75(67)78(66)82-76(64)65)68-35-19-33-63(77(68)81-72)56-25-10-3-11-26-56/h1-31,33-50,64H,32H2
• InChIKey: PWGPRDTZYQAEBZ-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.29
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine?

The IUPAC name of 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine (CID 163884600) is 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine.

What is the SMILES notation for 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine?

The canonical SMILES for 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine is C1=Cc2c(oc3c2ccc2c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc4c(N(c5ccccc5)c5ccc6ccccc6c5)cc5oc6c(-c7ccccc7)cccc6c5c4c23)C(c2ccc(-c3ccccc3)cc2)C1.

What is the InChIKey of 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine?

The InChIKey is PWGPRDTZYQAEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2O2/c1-6-20-51(21-7-1)54-36-38-57(39-37-54)64-32-18-34-65-66-46-47-67-70(79(59-28-12-4-13-29-59)61-43-40-55(41-44-61)52-22-8-2-9-23-52)49-69-71(80(60-30-14-5-15-31-60)62-45-42-53-24-16-17-27-58(53)48-62)50-72-73(74(69)75(67)78(66)82-76(64)65)68-35-19-33-63(77(68)81-72)56-25-10-3-11-26-56/h1-31,33-50,64H,32H2.

What are the key properties of 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine?

13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine has a molecular weight of 1049.29 g/mol, XLogP of 22.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine is sourced from PubChem (CID 163884600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).