10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine

C62H48N2O — CID 170058716

About 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine

10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine (PubChem CID 170058716) has the molecular formula C62H48N2O and a molecular weight of 837.08 g/mol. Its IUPAC name is 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine.

Molecular Properties

• Compound Name: 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
• PubChem CID: 170058716
• Molecular Formula: C62H48N2O
• Molecular Weight: 837.08 g/mol
• Exact Mass: 836.38
• IUPAC Name: 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
• SMILES: C=CC1=C(/C=C\C)C(C)(C)c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4cccc5c4c3Oc3c-5cccc3N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C62H48N2O/c1-5-18-55-51(6-2)54-41-50(38-39-56(54)62(55,3)4)64(49-36-33-45(34-37-49)44-31-29-43(30-32-44)42-19-10-7-11-20-42)58-40-35-46-21-16-26-52-53-27-17-28-57(60(53)65-61(58)59(46)52)63(47-22-12-8-13-23-47)48-24-14-9-15-25-48/h5-41H,2H2,1,3-4H3/b18-5-
• InChIKey: KRMHBOVMEDSMQD-DVZOWYKESA-N
• XLogP: 17.69
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.08
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine?

The IUPAC name of 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine (CID 170058716) is 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine.

What is the SMILES notation for 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine?

The canonical SMILES for 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine is C=CC1=C(/C=C\C)C(C)(C)c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4cccc5c4c3Oc3c-5cccc3N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine?

The InChIKey is KRMHBOVMEDSMQD-DVZOWYKESA-N. The full InChI is InChI=1S/C62H48N2O/c1-5-18-55-51(6-2)54-41-50(38-39-56(54)62(55,3)4)64(49-36-33-45(34-37-49)44-31-29-43(30-32-44)42-19-10-7-11-20-42)58-40-35-46-21-16-26-52-53-27-17-28-57(60(53)65-61(58)59(46)52)63(47-22-12-8-13-23-47)48-24-14-9-15-25-48/h5-41H,2H2,1,3-4H3/b18-5-.

What are the key properties of 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine?

10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine has a molecular weight of 837.08 g/mol, XLogP of 17.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine is sourced from PubChem (CID 170058716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).