2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile

C50H33N5O — CID 155237517

IUPAC2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3c(c4c2C=CCC4)CCC=C3)c(C#N)cc1N1c2ccc3c(oc4c3ccc3c4c4ccccc4n3-c3ccccc3)c2C2C=CC=CC21
InChIInChI=1S/C50H33N5O/c51-28-30-27-46(31(29-52)26-45(30)54-39-18-8-4-14-33(39)34-15-5-9-19-40(34)54)55-42-21-11-7-17-38(42)48-44(55)25-23-36-35-22-24-43-47(49(35)56-50(36)48)37-16-6-10-20-41(37)53(43)32-12-2-1-3-13-32/h1-3,6-13,16-27,38,42H,4-5,14-15H2
InChIKeyWICWSCTYZNBVGL-UHFFFAOYSA-N
MW719.85 g/mol
LogP11.87
Rot. Bonds3

About 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile

2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile (PubChem CID 155237517) has the molecular formula C50H33N5O and a molecular weight of 719.85 g/mol. Its IUPAC name is 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile
PubChem CID155237517
Molecular FormulaC50H33N5O
Molecular Weight719.85 g/mol
Exact Mass719.27
IUPAC Name2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3c(c4c2C=CCC4)CCC=C3)c(C#N)cc1N1c2ccc3c(oc4c3ccc3c4c4ccccc4n3-c3ccccc3)c2C2C=CC=CC21
InChIInChI=1S/C50H33N5O/c51-28-30-27-46(31(29-52)26-45(30)54-39-18-8-4-14-33(39)34-15-5-9-19-40(34)54)55-42-21-11-7-17-38(42)48-44(55)25-23-36-35-22-24-43-47(49(35)56-50(36)48)37-16-6-10-20-41(37)53(43)32-12-2-1-3-13-32/h1-3,6-13,16-27,38,42H,4-5,14-15H2
InChIKeyWICWSCTYZNBVGL-UHFFFAOYSA-N
XLogP11.87
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

24-(6,7-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),19,21,26-undecaene
CID 163597803
2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 155417171
3-carbazol-9-yl-4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,2-dicarbonitrile
CID 121324643
6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 166003071
2-carbazol-9-yl-6-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,4-dicarbonitrile
CID 121328622
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile
CID 121400436
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
2-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
CID 166504107
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 123926363
2-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
CID 153462215
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538

Frequently Asked Questions

What is the IUPAC name of 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile (CID 155237517) is 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3c(c4c2C=CCC4)CCC=C3)c(C#N)cc1N1c2ccc3c(oc4c3ccc3c4c4ccccc4n3-c3ccccc3)c2C2C=CC=CC21.
What is the InChIKey of 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile?
The InChIKey is WICWSCTYZNBVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5O/c51-28-30-27-46(31(29-52)26-45(30)54-39-18-8-4-14-33(39)34-15-5-9-19-40(34)54)55-42-21-11-7-17-38(42)48-44(55)25-23-36-35-22-24-43-47(49(35)56-50(36)48)37-16-6-10-20-41(37)53(43)32-12-2-1-3-13-32/h1-3,6-13,16-27,38,42H,4-5,14-15H2.
What are the key properties of 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile?
2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile has a molecular weight of 719.85 g/mol, XLogP of 11.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155237517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).