15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine

C99H101N3OSi — CID 163472344

About 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine

15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine (PubChem CID 163472344) has the molecular formula C99H101N3OSi and a molecular weight of 1377.00 g/mol. Its IUPAC name is 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine.

Molecular Properties

• Compound Name: 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
• PubChem CID: 163472344
• Molecular Formula: C99H101N3OSi
• Molecular Weight: 1377.00 g/mol
• Exact Mass: 1375.77
• IUPAC Name: 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
• SMILES: Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2-c2ccccc2[Si]4(C)C)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C)c(C)c4)c4c2oc2ccccc24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1C
• InChI: InChI=1S/C99H101N3OSi/c1-60-30-44-74(54-62(60)3)100(71-46-36-65(37-47-71)95(8,9)10)84-58-80-90(92-88(84)76-26-22-24-28-86(76)103-92)91-81(59-85(89-77-27-23-25-29-87(77)104(20,21)93(89)91)101(75-45-31-61(2)63(4)55-75)72-48-38-66(39-49-72)96(11,12)13)99(80,68-34-32-64(33-35-68)94(5,6)7)70-43-53-83-79(57-70)78-56-69(98(17,18)19)42-52-82(78)102(83)73-50-40-67(41-51-73)97(14,15)16/h22-59H,1-21H3
• InChIKey: WHYFHCANPXLYRZ-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 24.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.00
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The IUPAC name of 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine (CID 163472344) is 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine.

What is the SMILES notation for 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The canonical SMILES for 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2-c2ccccc2[Si]4(C)C)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C)c(C)c4)c4c2oc2ccccc24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1C.

What is the InChIKey of 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The InChIKey is WHYFHCANPXLYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H101N3OSi/c1-60-30-44-74(54-62(60)3)100(71-46-36-65(37-47-71)95(8,9)10)84-58-80-90(92-88(84)76-26-22-24-28-86(76)103-92)91-81(59-85(89-77-27-23-25-29-87(77)104(20,21)93(89)91)101(75-45-31-61(2)63(4)55-75)72-48-38-66(39-49-72)96(11,12)13)99(80,68-34-32-64(33-35-68)94(5,6)7)70-43-53-83-79(57-70)78-56-69(98(17,18)19)42-52-82(78)102(83)73-50-40-67(41-51-73)97(14,15)16/h22-59H,1-21H3.

What are the key properties of 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine has a molecular weight of 1377.00 g/mol, XLogP of 26.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine is sourced from PubChem (CID 163472344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).