4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C130H102N6O2Si2 — CID 158370013

About 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 158370013) has the molecular formula C130H102N6O2Si2 and a molecular weight of 1836.46 g/mol. Its IUPAC name is 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• PubChem CID: 158370013
• Molecular Formula: C130H102N6O2Si2
• Molecular Weight: 1836.46 g/mol
• Exact Mass: 1834.76
• IUPAC Name: 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4c(c3)Oc3cccc5c3c-4cc3c4ccccc4c(N(c4ccc([Si](C)(C)C)cc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc53)cc21.c1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccn3)c3ccccc3-c3ccccc3)cc42)c2ccccn2)cc1
• InChI: InChI=1S/C72H64N2OSi2.C58H38N4O/c1-71(2)63-23-15-13-19-53(63)55-37-30-47(40-65(55)71)73(45-26-33-50(34-27-45)76(5,6)7)49-32-39-58-62-43-60-52-18-11-12-21-57(52)67(44-61(60)59-22-17-25-68(70(59)62)75-69(58)42-49)74(46-28-35-51(36-29-46)77(8,9)10)48-31-38-56-54-20-14-16-24-64(54)72(3,4)66(56)41-48;1-3-18-39(19-4-1)42-22-9-11-27-51(42)61(56-30-13-15-34-59-56)41-32-33-46-50-37-48-44-24-7-8-25-45(44)53(38-49(48)47-26-17-29-54(58(47)50)63-55(46)36-41)62(57-31-14-16-35-60-57)52-28-12-10-23-43(52)40-20-5-2-6-21-40/h11-44H,1-10H3;1-38H
• InChIKey: GUMODEYHYRCBLG-UHFFFAOYSA-N
• XLogP: 35.54
• TPSA: 57.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1836.46
LogP ≤ 5	35.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The IUPAC name of 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 158370013) is 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

What is the SMILES notation for 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The canonical SMILES for 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4c(c3)Oc3cccc5c3c-4cc3c4ccccc4c(N(c4ccc([Si](C)(C)C)cc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc53)cc21.c1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccn3)c3ccccc3-c3ccccc3)cc42)c2ccccn2)cc1.

What is the InChIKey of 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The InChIKey is GUMODEYHYRCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N2OSi2.C58H38N4O/c1-71(2)63-23-15-13-19-53(63)55-37-30-47(40-65(55)71)73(45-26-33-50(34-27-45)76(5,6)7)49-32-39-58-62-43-60-52-18-11-12-21-57(52)67(44-61(60)59-22-17-25-68(70(59)62)75-69(58)42-49)74(46-28-35-51(36-29-46)77(8,9)10)48-31-38-56-54-20-14-16-24-64(54)72(3,4)66(56)41-48;1-3-18-39(19-4-1)42-22-9-11-27-51(42)61(56-30-13-15-34-59-56)41-32-33-46-50-37-48-44-24-7-8-25-45(44)53(38-49(48)47-26-17-29-54(58(47)50)63-55(46)36-41)62(57-31-14-16-35-60-57)52-28-12-10-23-43(52)40-20-5-2-6-21-40/h11-44H,1-10H3;1-38H.

What are the key properties of 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 1836.46 g/mol, XLogP of 35.54, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 158370013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).