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

C44H24N4 — CID 167153542

IUPAC11-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
SMILESN#Cc1ccc2c3c4c5ccc(-c6ccccc6)cc5n5c6cc(C#N)ccc6c(cc3n(-c3cccc(-c6ccccc6)c3)c2c1)c45
InChIInChI=1S/C44H24N4/c45-25-27-14-17-34-37-24-41-42(43-36-19-16-32(30-10-5-2-6-11-30)23-40(36)48(44(37)43)38(34)20-27)35-18-15-28(26-46)21-39(35)47(41)33-13-7-12-31(22-33)29-8-3-1-4-9-29/h1-24H
InChIKeyNEDHYVUASVIQQJ-UHFFFAOYSA-N
MW608.70 g/mol
LogP11.01
Rot. Bonds3

About 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

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 (PubChem CID 167153542) has the molecular formula C44H24N4 and a molecular weight of 608.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID167153542
Molecular FormulaC44H24N4
Molecular Weight608.70 g/mol
Exact Mass608.20
IUPAC Name11-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
SMILESN#Cc1ccc2c3c4c5ccc(-c6ccccc6)cc5n5c6cc(C#N)ccc6c(cc3n(-c3cccc(-c6ccccc6)c3)c2c1)c45
InChIInChI=1S/C44H24N4/c45-25-27-14-17-34-37-24-41-42(43-36-19-16-32(30-10-5-2-6-11-30)23-40(36)48(44(37)43)38(34)20-27)35-18-15-28(26-46)21-39(35)47(41)33-13-7-12-31(22-33)29-8-3-1-4-9-29/h1-24H
InChIKeyNEDHYVUASVIQQJ-UHFFFAOYSA-N
XLogP11.01
TPSA56.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.70
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2c3c4c5ccc(-c6ccccc6)cc5n5c6cc(C#N)ccc6c(cc3n(-c3cccc(-c6ccccc6)c3)c2c1)c45.
What is the InChIKey of 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?
The InChIKey is NEDHYVUASVIQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4/c45-25-27-14-17-34-37-24-41-42(43-36-19-16-32(30-10-5-2-6-11-30)23-40(36)48(44(37)43)38(34)20-27)35-18-15-28(26-46)21-39(35)47(41)33-13-7-12-31(22-33)29-8-3-1-4-9-29/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 608.70 g/mol, XLogP of 11.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167153542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).