10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

C70H52N2O — CID 168856006

About 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (PubChem CID 168856006) has the molecular formula C70H52N2O and a molecular weight of 937.20 g/mol. Its IUPAC name is 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.

Molecular Properties

• Compound Name: 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
• PubChem CID: 168856006
• Molecular Formula: C70H52N2O
• Molecular Weight: 937.20 g/mol
• Exact Mass: 936.41
• IUPAC Name: 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc5cccc6c5c4Oc4ccc(N(c5ccccc5)c5ccccc5)cc4-6)cc3)c21
• InChI: InChI=1S/C70H52N2O/c1-69(2)61-30-13-11-23-55(61)58-28-16-25-53(66(58)69)45-32-37-50(38-33-45)72(51-39-34-46(35-40-51)54-26-17-29-59-56-24-12-14-31-62(56)70(3,4)67(54)59)63-42-36-47-18-15-27-57-60-44-52(41-43-64(60)73-68(63)65(47)57)71(48-19-7-5-8-20-48)49-21-9-6-10-22-49/h5-44H,1-4H3
• InChIKey: OECAHCBHSTVTHU-UHFFFAOYSA-N
• XLogP: 19.50
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.20
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?

The IUPAC name of 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (CID 168856006) is 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.

What is the SMILES notation for 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?

The canonical SMILES for 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc5cccc6c5c4Oc4ccc(N(c5ccccc5)c5ccccc5)cc4-6)cc3)c21.

What is the InChIKey of 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?

The InChIKey is OECAHCBHSTVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O/c1-69(2)61-30-13-11-23-55(61)58-28-16-25-53(66(58)69)45-32-37-50(38-33-45)72(51-39-34-46(35-40-51)54-26-17-29-59-56-24-12-14-31-62(56)70(3,4)67(54)59)63-42-36-47-18-15-27-57-60-44-52(41-43-64(60)73-68(63)65(47)57)71(48-19-7-5-8-20-48)49-21-9-6-10-22-49/h5-44H,1-4H3.

What are the key properties of 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?

10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine has a molecular weight of 937.20 g/mol, XLogP of 19.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is sourced from PubChem (CID 168856006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).