11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C86H84N4 — CID 170937387

IUPAC11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccc(C(C)(C)c4ccccc4)cc1)c1ccc(C(C)(C)c4ccccc4)cc1N3c1cc(C(C)(C)c3ccccc3)ccc1N2c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C86H84N4/c1-81(2,3)63-39-47-72-70(51-63)71-52-64(82(4,5)6)40-48-73(71)89(72)69-55-78-80-79(56-69)88(68-45-37-62(38-46-68)84(9,10)58-29-21-16-22-30-58)75-50-42-66(86(13,14)60-33-25-18-26-34-60)54-77(75)90(80)76-53-65(85(11,12)59-31-23-17-24-32-59)41-49-74(76)87(78)67-43-35-61(36-44-67)83(7,8)57-27-19-15-20-28-57/h15-56H,1-14H3
InChIKeyNJDLLOUENKTQPZ-UHFFFAOYSA-N
MW1173.65 g/mol
LogP23.72
Rot. Bonds11

About 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 170937387) has the molecular formula C86H84N4 and a molecular weight of 1173.65 g/mol. Its IUPAC name is 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID170937387
Molecular FormulaC86H84N4
Molecular Weight1173.65 g/mol
Exact Mass1172.67
IUPAC Name11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccc(C(C)(C)c4ccccc4)cc1)c1ccc(C(C)(C)c4ccccc4)cc1N3c1cc(C(C)(C)c3ccccc3)ccc1N2c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C86H84N4/c1-81(2,3)63-39-47-72-70(51-63)71-52-64(82(4,5)6)40-48-73(71)89(72)69-55-78-80-79(56-69)88(68-45-37-62(38-46-68)84(9,10)58-29-21-16-22-30-58)75-50-42-66(86(13,14)60-33-25-18-26-34-60)54-77(75)90(80)76-53-65(85(11,12)59-31-23-17-24-32-59)41-49-74(76)87(78)67-43-35-61(36-44-67)83(7,8)57-27-19-15-20-28-57/h15-56H,1-14H3
InChIKeyNJDLLOUENKTQPZ-UHFFFAOYSA-N
XLogP23.72
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.65
LogP ≤ 523.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

11-(3,6-ditert-butylcarbazol-9-yl)-4-phenyl-8-(4-phenylphenyl)-18-(2-phenylpropan-2-yl)-14-[4-(2-phenylpropan-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 166562755
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]carbazole
CID 162480082
9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole
CID 170072056
11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171467608
1-tert-butyl-5,17-bis(2,7-ditert-butylcarbazol-9-yl)-11-(3,6-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 176590202
18-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-15-(4-phenylphenyl)-25-(2-phenylpropan-2-yl)-21-[4-(2-phenylpropan-2-yl)phenyl]-5-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 166562749
[4-[11-(3,6-ditert-butylcarbazol-9-yl)-14-phenyl-4,18-bis(triphenylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
CID 168783592
11-(3,6-ditert-butylcarbazol-9-yl)-8,14-diphenyl-1-sulfanylidene-8,14-diaza-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 154951407
5,11,16-tritert-butyl-8-phenyl-20-(9-phenylcarbazol-3-yl)-1,8-diaza-20-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14(19),15,17-nonaene
CID 169287152
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480016
5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
CID 134317296
2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
CID 58384128

Frequently Asked Questions

What is the IUPAC name of 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 170937387) is 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)N(c1ccc(C(C)(C)c4ccccc4)cc1)c1ccc(C(C)(C)c4ccccc4)cc1N3c1cc(C(C)(C)c3ccccc3)ccc1N2c1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is NJDLLOUENKTQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H84N4/c1-81(2,3)63-39-47-72-70(51-63)71-52-64(82(4,5)6)40-48-73(71)89(72)69-55-78-80-79(56-69)88(68-45-37-62(38-46-68)84(9,10)58-29-21-16-22-30-58)75-50-42-66(86(13,14)60-33-25-18-26-34-60)54-77(75)90(80)76-53-65(85(11,12)59-31-23-17-24-32-59)41-49-74(76)87(78)67-43-35-61(36-44-67)83(7,8)57-27-19-15-20-28-57/h15-56H,1-14H3.
What are the key properties of 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1173.65 g/mol, XLogP of 23.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,6-ditert-butylcarbazol-9-yl)-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)phenyl]-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 170937387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).