6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

C74H68N4 — CID 146666361

IUPAC6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc3cc4c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc5n(-c5ccccc5)c4cc3cc1n2-c1ccccc1
InChIInChI=1S/C74H68N4/c1-71(2,3)47-23-29-63-57(39-47)58-40-48(72(4,5)6)24-30-64(58)77(63)53-27-33-67-61(43-53)55-35-45-36-56-62-44-54(78-65-31-25-49(73(7,8)9)41-59(65)60-42-50(74(10,11)12)26-32-66(60)78)28-34-68(62)76(52-21-17-14-18-22-52)70(56)38-46(45)37-69(55)75(67)51-19-15-13-16-20-51/h13-44H,1-12H3
InChIKeyZGAZFVOPTYSAGX-UHFFFAOYSA-N
MW1013.39 g/mol
LogP20.42
Rot. Bonds4

About 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (PubChem CID 146666361) has the molecular formula C74H68N4 and a molecular weight of 1013.39 g/mol. Its IUPAC name is 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
PubChem CID146666361
Molecular FormulaC74H68N4
Molecular Weight1013.39 g/mol
Exact Mass1012.54
IUPAC Name6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc3cc4c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc5n(-c5ccccc5)c4cc3cc1n2-c1ccccc1
InChIInChI=1S/C74H68N4/c1-71(2,3)47-23-29-63-57(39-47)58-40-48(72(4,5)6)24-30-64(58)77(63)53-27-33-67-61(43-53)55-35-45-36-56-62-44-54(78-65-31-25-49(73(7,8)9)41-59(65)60-42-50(74(10,11)12)26-32-66(60)78)28-34-68(62)76(52-21-17-14-18-22-52)70(56)38-46(45)37-69(55)75(67)51-19-15-13-16-20-51/h13-44H,1-12H3
InChIKeyZGAZFVOPTYSAGX-UHFFFAOYSA-N
XLogP20.42
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.39
LogP ≤ 520.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene with MolForge

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Related Compounds

Dextranase
CID 167312536
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
Tris(4-carbazoyl-9-ylphenyl)amine
CID 9962045
2,7-di(9H-carbazol-9-yl)-9,9'-spirobi[fluorene]
CID 21032473
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
N-((1,1'-biphenyl)-4-yl)-9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine
CID 57746495
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845
Bis(3,5-di(9H-carbazol-9-yl)phenyl)diphenylsilane
CID 59770816
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
CID 68185634
3,4,5,6-Tetrakis(carbazol-9-yl)-1,2-dicyanobenzene
CID 101136487

Frequently Asked Questions

What is the IUPAC name of 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The IUPAC name of 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (CID 146666361) is 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The canonical SMILES for 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc3cc4c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc5n(-c5ccccc5)c4cc3cc1n2-c1ccccc1.
What is the InChIKey of 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The InChIKey is ZGAZFVOPTYSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H68N4/c1-71(2,3)47-23-29-63-57(39-47)58-40-48(72(4,5)6)24-30-64(58)77(63)53-27-33-67-61(43-53)55-35-45-36-56-62-44-54(78-65-31-25-49(73(7,8)9)41-59(65)60-42-50(74(10,11)12)26-32-66(60)78)28-34-68(62)76(52-21-17-14-18-22-52)70(56)38-46(45)37-69(55)75(67)51-19-15-13-16-20-51/h13-44H,1-12H3.
What are the key properties of 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene has a molecular weight of 1013.39 g/mol, XLogP of 20.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 146666361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).