19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene

C84H52N4O2 — CID 134428489

IUPAC19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccc(-c3cccc5c3oc3ccccc35)cc2c2cc(-c3cccc5c3oc3ccccc35)ccc2c2cc3c(cc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C84H52N4O2/c1-5-23-55(24-6-1)85-73-37-15-17-39-75(73)87(57-27-9-3-10-28-57)79-51-71-69(49-77(79)85)61-45-43-53(59-33-21-35-65-63-31-13-19-41-81(63)89-83(59)65)47-67(61)68-48-54(60-34-22-36-66-64-32-14-20-42-82(64)90-84(60)66)44-46-62(68)70-50-78-80(52-72(70)71)88(58-29-11-4-12-30-58)76-40-18-16-38-74(76)86(78)56-25-7-2-8-26-56/h1-52H/b68-67-,69-61-,70-62-,72-71-
InChIKeyVFNMWEASVHWCSR-IQPXVLAWSA-N
MW1149.37 g/mol
LogP22.89
Rot. Bonds6

About 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene

19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene (PubChem CID 134428489) has the molecular formula C84H52N4O2 and a molecular weight of 1149.37 g/mol. Its IUPAC name is 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene.

Molecular Properties

Compound Name19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
PubChem CID134428489
Molecular FormulaC84H52N4O2
Molecular Weight1149.37 g/mol
Exact Mass1148.41
IUPAC Name19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccc(-c3cccc5c3oc3ccccc35)cc2c2cc(-c3cccc5c3oc3ccccc35)ccc2c2cc3c(cc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C84H52N4O2/c1-5-23-55(24-6-1)85-73-37-15-17-39-75(73)87(57-27-9-3-10-28-57)79-51-71-69(49-77(79)85)61-45-43-53(59-33-21-35-65-63-31-13-19-41-81(63)89-83(59)65)47-67(61)68-48-54(60-34-22-36-66-64-32-14-20-42-82(64)90-84(60)66)44-46-62(68)70-50-78-80(52-72(70)71)88(58-29-11-4-12-30-58)76-40-18-16-38-74(76)86(78)56-25-7-2-8-26-56/h1-52H/b68-67-,69-61-,70-62-,72-71-
InChIKeyVFNMWEASVHWCSR-IQPXVLAWSA-N
XLogP22.89
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.37
LogP ≤ 522.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene with MolForge

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Related Compounds

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3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342631
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 154600099
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The IUPAC name of 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene (CID 134428489) is 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene.
What is the SMILES notation for 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The canonical SMILES for 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene is c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c(cc32)c2ccc(-c3cccc5c3oc3ccccc35)cc2c2cc(-c3cccc5c3oc3ccccc35)ccc2c2cc3c(cc24)n(-c2ccccc2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The InChIKey is VFNMWEASVHWCSR-IQPXVLAWSA-N. The full InChI is InChI=1S/C84H52N4O2/c1-5-23-55(24-6-1)85-73-37-15-17-39-75(73)87(57-27-9-3-10-28-57)79-51-71-69(49-77(79)85)61-45-43-53(59-33-21-35-65-63-31-13-19-41-81(63)89-83(59)65)47-67(61)68-48-54(60-34-22-36-66-64-32-14-20-42-82(64)90-84(60)66)44-46-62(68)70-50-78-80(52-72(70)71)88(58-29-11-4-12-30-58)76-40-18-16-38-74(76)86(78)56-25-7-2-8-26-56/h1-52H/b68-67-,69-61-,70-62-,72-71-.
What are the key properties of 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene has a molecular weight of 1149.37 g/mol, XLogP of 22.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene is sourced from PubChem (CID 134428489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).