11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane

C228H190N8Si7 — CID 163847646

IUPAC11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4cc5c6c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N6c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3c2)cc1
InChIInChI=1S/C94H84N4Si2.C72H52N2Si3.C62H54N2Si2/c1-91(2,3)61-41-47-78-72(53-61)73-54-62(92(4,5)6)42-48-79(73)95(78)65-45-51-82-76(57-65)77-58-66(96-80-49-43-63(93(7,8)9)55-74(80)75-56-64(94(10,11)12)44-50-81(75)96)46-52-83(77)97(82)67-59-88-90-89(60-67)100(70-33-21-15-22-34-70,71-35-23-16-24-36-71)87-40-28-26-38-85(87)98(90)84-37-25-27-39-86(84)99(88,68-29-17-13-18-30-68)69-31-19-14-20-32-69;1-8-28-54(29-9-1)75(55-30-10-2-11-31-55,56-32-12-3-13-33-56)61-48-49-63-62-42-22-23-43-64(62)73(67(63)52-61)53-50-70-72-71(51-53)77(59-38-18-6-19-39-59,60-40-20-7-21-41-60)69-47-27-25-45-66(69)74(72)65-44-24-26-46-68(65)76(70,57-34-14-4-15-35-57)58-36-16-5-17-37-58;1-61(2,3)43-35-37-52-50(39-43)51-40-44(62(4,5)6)36-38-53(51)63(52)45-41-58-60-59(42-45)66(48-27-15-9-16-28-48,49-29-17-10-18-30-49)57-34-22-20-32-55(57)64(60)54-31-19-21-33-56(54)65(58,46-23-11-7-12-24-46)47-25-13-8-14-26-47/h13-60H,1-12H3;1-52H;7-42H,1-6H3
InChIKeyOROFUGRSCKAPMP-UHFFFAOYSA-N
MW3238.69 g/mol
LogP38.26
Rot. Bonds21

About 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane

11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane (PubChem CID 163847646) has the molecular formula C228H190N8Si7 and a molecular weight of 3238.69 g/mol. Its IUPAC name is 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane.

Molecular Properties

Compound Name11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane
PubChem CID163847646
Molecular FormulaC228H190N8Si7
Molecular Weight3238.69 g/mol
Exact Mass3235.35
IUPAC Name11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4cc5c6c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N6c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3c2)cc1
InChIInChI=1S/C94H84N4Si2.C72H52N2Si3.C62H54N2Si2/c1-91(2,3)61-41-47-78-72(53-61)73-54-62(92(4,5)6)42-48-79(73)95(78)65-45-51-82-76(57-65)77-58-66(96-80-49-43-63(93(7,8)9)55-74(80)75-56-64(94(10,11)12)44-50-81(75)96)46-52-83(77)97(82)67-59-88-90-89(60-67)100(70-33-21-15-22-34-70,71-35-23-16-24-36-71)87-40-28-26-38-85(87)98(90)84-37-25-27-39-86(84)99(88,68-29-17-13-18-30-68)69-31-19-14-20-32-69;1-8-28-54(29-9-1)75(55-30-10-2-11-31-55,56-32-12-3-13-33-56)61-48-49-63-62-42-22-23-43-64(62)73(67(63)52-61)53-50-70-72-71(51-53)77(59-38-18-6-19-39-59,60-40-20-7-21-41-60)69-47-27-25-45-66(69)74(72)65-44-24-26-46-68(65)76(70,57-34-14-4-15-35-57)58-36-16-5-17-37-58;1-61(2,3)43-35-37-52-50(39-43)51-40-44(62(4,5)6)36-38-53(51)63(52)45-41-58-60-59(42-45)66(48-27-15-9-16-28-48,49-29-17-10-18-30-49)57-34-22-20-32-55(57)64(60)54-31-19-21-33-56(54)65(58,46-23-11-7-12-24-46)47-25-13-8-14-26-47/h13-60H,1-12H3;1-52H;7-42H,1-6H3
InChIKeyOROFUGRSCKAPMP-UHFFFAOYSA-N
XLogP38.26
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms243
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003238.69
LogP ≤ 538.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane?
The IUPAC name of 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane (CID 163847646) is 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane.
What is the SMILES notation for 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane?
The canonical SMILES for 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4cc5c6c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N6c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3c2)cc1.
What is the InChIKey of 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane?
The InChIKey is OROFUGRSCKAPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H84N4Si2.C72H52N2Si3.C62H54N2Si2/c1-91(2,3)61-41-47-78-72(53-61)73-54-62(92(4,5)6)42-48-79(73)95(78)65-45-51-82-76(57-65)77-58-66(96-80-49-43-63(93(7,8)9)55-74(80)75-56-64(94(10,11)12)44-50-81(75)96)46-52-83(77)97(82)67-59-88-90-89(60-67)100(70-33-21-15-22-34-70,71-35-23-16-24-36-71)87-40-28-26-38-85(87)98(90)84-37-25-27-39-86(84)99(88,68-29-17-13-18-30-68)69-31-19-14-20-32-69;1-8-28-54(29-9-1)75(55-30-10-2-11-31-55,56-32-12-3-13-33-56)61-48-49-63-62-42-22-23-43-64(62)73(67(63)52-61)53-50-70-72-71(51-53)77(59-38-18-6-19-39-59,60-40-20-7-21-41-60)69-47-27-25-45-66(69)74(72)65-44-24-26-46-68(65)76(70,57-34-14-4-15-35-57)58-36-16-5-17-37-58;1-61(2,3)43-35-37-52-50(39-43)51-40-44(62(4,5)6)36-38-53(51)63(52)45-41-58-60-59(42-45)66(48-27-15-9-16-28-48,49-29-17-10-18-30-49)57-34-22-20-32-55(57)64(60)54-31-19-21-33-56(54)65(58,46-23-11-7-12-24-46)47-25-13-8-14-26-47/h13-60H,1-12H3;1-52H;7-42H,1-6H3.
What are the key properties of 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane?
11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane has a molecular weight of 3238.69 g/mol, XLogP of 38.26, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane is sourced from PubChem (CID 163847646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).