20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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

C74H54N4Si — CID 140757196

About 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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

20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 140757196) has the molecular formula C74H54N4Si and a molecular weight of 1027.36 g/mol. Its IUPAC name is 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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: 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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: 140757196
• Molecular Formula: C74H54N4Si
• Molecular Weight: 1027.36 g/mol
• Exact Mass: 1026.41
• IUPAC Name: 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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: C[Si]1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cccc1c23
• InChI: InChI=1S/C74H54N4Si/c1-79(2)72-37-21-34-61-63-48-71(76(50-24-9-4-10-25-50)54-40-43-70-65(45-54)59-33-18-20-36-68(59)78(70)52-28-13-6-14-29-52)57-31-16-15-30-56(57)62(63)47-66(74(61)72)60-41-38-55(46-73(60)79)75(49-22-7-3-8-23-49)53-39-42-69-64(44-53)58-32-17-19-35-67(58)77(69)51-26-11-5-12-27-51/h3-48,58,67H,1-2H3
• InChIKey: QHUVTXPHFNIYBQ-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.36
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 140757196) is 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 C[Si]1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cccc1c23.

What is the InChIKey of 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 QHUVTXPHFNIYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N4Si/c1-79(2)72-37-21-34-61-63-48-71(76(50-24-9-4-10-25-50)54-40-43-70-65(45-54)59-33-18-20-36-68(59)78(70)52-28-13-6-14-29-52)57-31-16-15-30-56(57)62(63)47-66(74(61)72)60-41-38-55(46-73(60)79)75(49-22-7-3-8-23-49)53-39-42-69-64(44-53)58-32-17-19-35-67(58)77(69)51-26-11-5-12-27-51/h3-48,58,67H,1-2H3.

What are the key properties of 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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?

20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 1027.36 g/mol, XLogP of 18.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20,20-dimethyl-4-N,17-N-diphenyl-17-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-4-N-(9-phenylcarbazol-3-yl)-20-silahexacyclo[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 140757196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).