3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile

C55H30N2 — CID 139384870

IUPAC3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile
SMILESN#Cc1ccc2c3c4cccc5c6c(-c7ccccc7)c7c(cc8c9ccccc9c9cccc7c98)c(-c7ccccc7)c6c(cc3n(-c3ccccc3)c2c1)c54
InChIInChI=1S/C55H30N2/c56-31-32-26-27-39-46(28-32)57(35-18-8-3-9-19-35)47-30-45-51-40(52(39)47)23-13-25-42(51)54-49(34-16-6-2-7-17-34)53-41-24-12-22-38-36-20-10-11-21-37(36)43(50(38)41)29-44(53)48(55(45)54)33-14-4-1-5-15-33/h1-30H
InChIKeyWLXTUNUQRYKUOJ-UHFFFAOYSA-N
MW718.86 g/mol
LogP14.94
Rot. Bonds3

About 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile

3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile (PubChem CID 139384870) has the molecular formula C55H30N2 and a molecular weight of 718.86 g/mol. Its IUPAC name is 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile.

Molecular Properties

Compound Name3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile
PubChem CID139384870
Molecular FormulaC55H30N2
Molecular Weight718.86 g/mol
Exact Mass718.24
IUPAC Name3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile
SMILESN#Cc1ccc2c3c4cccc5c6c(-c7ccccc7)c7c(cc8c9ccccc9c9cccc7c98)c(-c7ccccc7)c6c(cc3n(-c3ccccc3)c2c1)c54
InChIInChI=1S/C55H30N2/c56-31-32-26-27-39-46(28-32)57(35-18-8-3-9-19-35)47-30-45-51-40(52(39)47)23-13-25-42(51)54-49(34-16-6-2-7-17-34)53-41-24-12-22-38-36-20-10-11-21-37(36)43(50(38)41)29-44(53)48(55(45)54)33-14-4-1-5-15-33/h1-30H
InChIKeyWLXTUNUQRYKUOJ-UHFFFAOYSA-N
XLogP14.94
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile with MolForge

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Related Compounds

24-(4-isocyanophenyl)-3,19-diphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25,27,29,32(36),33-octadecaene
CID 153419754
28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene
CID 167544014
3,19-diphenylundecacyclo[19.19.1.15,9.02,20.04,18.010,15.023,36.024,29.030,35.037,41.016,42]dotetraconta-1(40),2,4(18),5,7,9(42),10,12,14,16,19,21(41),22,24,26,28,30,32,34,36,38-henicosaene
CID 142318881
3-[3-(3,15-diphenyl-10-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl)phenyl]benzonitrile
CID 89257440
4-(3,19-diphenyl-30-decacyclo[19.15.1.15,9.02,20.04,18.010,15.025,37.026,35.027,32.016,38]octatriaconta-1(37),2,4(18),5,7,9(38),10,12,14,16,19,21,23,25,27(32),28,30,33,35-nonadecaenyl)benzonitrile
CID 155283408
3,19-diphenyl-27-oxadecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.028,33.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21(36),22,24,26(34),28(33),29,31-octadecaene-31-carbonitrile
CID 155283415
19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene-16-carbonitrile
CID 146537860
11-phenyl-23-(3-phenylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),17(22),18,20-dodecaene-5,20-dicarbonitrile
CID 167153542
5-amino-9-phenylcarbazole-2-carbonitrile
CID 163682260
5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
CID 118397718
3,19,29-triphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaene
CID 123525699
2-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methylidene]propanedinitrile
CID 134511684

Frequently Asked Questions

What is the IUPAC name of 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile?
The IUPAC name of 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile (CID 139384870) is 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile.
What is the SMILES notation for 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile?
The canonical SMILES for 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile is N#Cc1ccc2c3c4cccc5c6c(-c7ccccc7)c7c(cc8c9ccccc9c9cccc7c98)c(-c7ccccc7)c6c(cc3n(-c3ccccc3)c2c1)c54.
What is the InChIKey of 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile?
The InChIKey is WLXTUNUQRYKUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N2/c56-31-32-26-27-39-46(28-32)57(35-18-8-3-9-19-35)47-30-45-51-40(52(39)47)23-13-25-42(51)54-49(34-16-6-2-7-17-34)53-41-24-12-22-38-36-20-10-11-21-37(36)43(50(38)41)29-44(53)48(55(45)54)33-14-4-1-5-15-33/h1-30H.
What are the key properties of 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile?
3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile has a molecular weight of 718.86 g/mol, XLogP of 14.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,19,24-triphenyl-24-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.025,30.032,36.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),25(30),26,28,32(36),33-octadecaene-27-carbonitrile is sourced from PubChem (CID 139384870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).